Reaction Details Report a problem with these data
Target
Relaxin-3 receptor 1
Ligand
BDBM50382999
Substrate
n/a
Meas. Tech.
ChEMBL_818425 (CHEMBL2034745)
Ki
2089.3±n/a nM
Citation
 Shabanpoor, F; Akhter Hossain, M; Ryan, PJ; Belgi, A; Layfield, S; Kocan, M; Zhang, S; Samuel, CS; Gundlach, AL; Bathgate, RA; Separovic, F; Wade, JD Minimization of human relaxin-3 leading to high-affinity analogues with increased selectivity for relaxin-family peptide 3 receptor (RXFP3) over RXFP1. J Med Chem 55:1671-81 (2012) [PubMed]  Article 
Target
Name:
Relaxin-3 receptor 1
Synonyms:
G protein-coupled receptor SALPR | G-protein coupled receptor GPCR135 | GPCR135 | RL3R1_HUMAN | RLN3 receptor 1 | RLN3R1 | RXFP3 | Relaxin family peptide receptor 3 | SALPR | Somatostatin- and angiotensin-like peptide receptor
Type:
PROTEIN
Mol. Mass.:
51139.41
Organism:
Homo sapiens (Human)
Description:
ChEMBL_818423
Residue:
469
Sequence:
MQMADAATIATMNKAAGGDKLAELFSLVPDLLEAANTSGNASLQLPDLWWELGLELPDGAPPGHPPGSGGAESADTEARVRILISVVYWVVCALGLAGNLLVLYLMKSMQGWRKSSINLFVTNLALTDFQFVLTLPFWAVENALDFKWPFGKAMCKIVSMVTSMNMYASVFFLTAMSVTRYHSVASALKSHRTRGHGRGDCCGRSLGDSCCFSAKALCVWIWALAALASLPSAIFSTTVKVMGEELCLVRFPDKLLGRDRQFWLGLYHSQKVLLGFVLPLGIIILCYLLLVRFIADRRAAGTKGGAAVAGGRPTGASARRLSKVTKSVTIVVLSFFLCWLPNQALTTWSILIKFNAVPFSQEYFLCQVYAFPVSVCLAHSNSCLNPVLYCLVRREFRKALKSLLWRIASPSITSMRPFTATTKPEHEDQGLQAPAPPHAAAEPDLLYYPPGVVVYSGGRYDLLPSSSAY
  
Inhibitor
Name:
BDBM50382999
Synonyms:
CHEMBL2030698
Type:
Small organic molecule
Emp. Form.:
C140H222N46O35
Mol. Mass.:
3109.5479
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,wU:105.108,95.98,88.89,76.86,68.69,49.54,19.25,4.4,131.134,143.145,162.165,163.168,175.178,190.193,207.210,wD:100.103,57.65,43.46,28.36,8.16,2.2,120.122,136.138,144.147,151.153,169.172,196.199,(20.34,-42.66,;20.34,-44.2,;21.69,-44.97,;23.02,-44.21,;21.69,-46.52,;20.34,-47.29,;19.01,-46.52,;19.01,-44.98,;17.68,-47.29,;17.68,-48.83,;19.01,-49.61,;20.35,-48.83,;21.67,-49.6,;21.69,-51.14,;20.34,-51.91,;19.02,-51.14,;16.33,-46.52,;15.01,-47.3,;15.01,-48.83,;13.68,-46.53,;13.68,-44.98,;15.01,-44.21,;15.01,-42.67,;13.67,-41.9,;16.33,-41.9,;12.33,-47.3,;11,-46.53,;11,-44.99,;9.67,-47.31,;9.67,-48.84,;11,-49.62,;11,-51.15,;12.33,-51.92,;12.33,-53.46,;11,-54.23,;13.68,-54.23,;8.32,-46.54,;6.99,-47.31,;6.99,-48.85,;5.66,-46.54,;4.32,-47.31,;2.99,-46.54,;2.99,-45,;1.66,-47.31,;1.66,-48.85,;2.99,-49.62,;.33,-46.54,;-1.02,-47.32,;-1.02,-48.85,;-2.35,-46.55,;-2.35,-45,;-1.02,-44.24,;-1.02,-42.69,;.31,-45,;-3.68,-47.32,;-5.02,-46.56,;-5.02,-45.01,;-6.36,-47.33,;-6.36,-48.86,;-5.02,-49.64,;-5.02,-51.17,;-3.68,-51.95,;-3.68,-53.48,;-5.01,-54.25,;-2.34,-54.26,;-7.69,-46.55,;-9.03,-47.33,;-9.03,-48.87,;-10.36,-46.56,;-11.71,-47.33,;-13.03,-46.56,;-13.03,-45.02,;-14.37,-47.34,;-15.71,-46.57,;-17.04,-47.34,;-17.04,-48.88,;-18.37,-46.57,;-18.37,-45.03,;-17.04,-44.26,;-15.72,-45.02,;-14.39,-44.25,;-14.4,-42.7,;-13.06,-41.93,;-15.74,-41.94,;-17.05,-42.71,;-19.7,-47.34,;-21.04,-46.57,;-22.38,-47.34,;-21.04,-45.03,;-19.66,-44.32,;-20.2,-42.72,;-21.88,-42.74,;-22.39,-44.35,;-23.81,-44.95,;-24.09,-46.46,;-24.98,-43.94,;-24.7,-42.43,;-26.43,-44.46,;-27.61,-43.46,;-27.33,-41.94,;-29.06,-43.97,;-29.34,-45.48,;-30.23,-42.97,;-31.68,-43.48,;-31.97,-45,;-32.86,-42.48,;-34.31,-42.99,;-32.57,-40.96,;-31.12,-40.44,;-30.84,-38.94,;-29.38,-38.42,;-29.1,-36.9,;-27.65,-36.39,;-30.27,-35.9,;-10.36,-45.01,;-9.03,-44.24,;-11.71,-44.25,;23.02,-47.29,;23.02,-48.82,;24.34,-46.51,;25.67,-47.28,;25.67,-48.82,;27.03,-49.59,;27.03,-51.13,;28.35,-51.9,;28.35,-53.45,;27.02,-54.21,;29.69,-54.21,;27.03,-46.51,;27.03,-44.96,;28.35,-47.28,;29.68,-46.5,;29.68,-44.97,;31.01,-47.28,;31.01,-48.82,;32.36,-46.51,;33.69,-47.28,;33.69,-48.81,;35.02,-49.58,;32.36,-49.58,;35.02,-46.5,;35.02,-44.96,;36.36,-47.27,;37.69,-46.5,;37.69,-44.95,;39.02,-44.18,;36.36,-44.18,;36.36,-42.64,;39.02,-47.27,;39.02,-48.8,;40.36,-46.49,;41.7,-47.26,;41.7,-48.8,;43.03,-49.58,;44.37,-48.8,;45.7,-49.57,;45.7,-51.11,;44.37,-51.88,;43.04,-51.11,;43.03,-46.49,;43.03,-44.95,;44.36,-47.26,;45.7,-46.49,;45.7,-44.94,;44.36,-44.17,;47.03,-44.18,;47.03,-47.26,;47.03,-48.79,;48.37,-46.48,;49.7,-47.25,;49.7,-48.79,;51.04,-49.56,;51.04,-46.48,;51.04,-44.93,;52.37,-47.25,;53.71,-46.47,;53.71,-44.94,;55.04,-44.17,;55.04,-42.62,;56.37,-41.85,;56.37,-40.31,;55.04,-39.53,;57.71,-39.54,;55.04,-47.25,;55.04,-48.79,;56.37,-46.48,;57.71,-47.25,;59.05,-46.47,;59.05,-44.93,;60.38,-47.24,;61.72,-46.47,;61.72,-44.92,;63.05,-44.15,;63.05,-47.24,;63.05,-48.77,;64.39,-46.46,;65.72,-47.23,;65.72,-48.77,;67.06,-49.55,;67.06,-51.08,;68.4,-51.86,;68.4,-53.39,;67.07,-54.16,;69.73,-54.17,;67.06,-46.46,;67.06,-44.92,;68.39,-47.23,;69.73,-46.46,;69.73,-44.91,;71.06,-44.15,;72.46,-44.77,;73.49,-43.62,;72.72,-42.29,;73.2,-40.83,;72.16,-39.68,;70.66,-40,;70.18,-41.47,;71.22,-42.61,;71.06,-47.23,;72.4,-46.45,;71.06,-48.76,)|
Structure:
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