Reaction Details Report a problem with these data
Target
Relaxin-3 receptor 1
Ligand
BDBM50382994
Substrate
n/a
Meas. Tech.
ChEMBL_818425 (CHEMBL2034745)
Ki
2951.21±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:
BDBM50382994
Synonyms:
CHEMBL2030691
Type:
Small organic molecule
Emp. Form.:
C136H213N43O35
Mol. Mass.:
3010.4135
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)NCC(=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:105.108,95.98,88.89,76.86,68.69,49.54,19.25,4.4,131.134,143.145,162.165,163.168,183.186,200.203,wD:100.103,57.65,43.46,28.36,8.16,2.2,120.122,136.138,144.147,151.153,169.172,189.192,(-16.5,-6.29,;-16.5,-7.82,;-15.16,-8.59,;-13.83,-7.83,;-15.16,-10.14,;-16.5,-10.91,;-17.83,-10.14,;-17.83,-8.59,;-19.16,-10.92,;-19.16,-12.45,;-17.83,-13.23,;-16.5,-12.45,;-15.18,-13.22,;-15.17,-14.76,;-16.51,-15.53,;-17.83,-14.76,;-20.5,-10.15,;-21.84,-10.91,;-21.84,-12.46,;-23.17,-10.15,;-23.17,-8.61,;-21.84,-7.83,;-21.84,-6.29,;-23.19,-5.52,;-20.5,-5.53,;-24.5,-10.92,;-25.84,-10.15,;-25.84,-8.61,;-27.17,-10.92,;-27.17,-12.46,;-25.84,-13.24,;-25.84,-14.77,;-24.5,-15.54,;-24.5,-17.08,;-25.83,-17.86,;-23.17,-17.85,;-28.51,-10.15,;-29.84,-10.93,;-29.84,-12.46,;-31.17,-10.16,;-32.51,-10.94,;-33.84,-10.16,;-33.84,-8.62,;-35.2,-10.93,;-35.2,-12.48,;-33.84,-13.24,;-36.51,-10.17,;-37.85,-10.94,;-37.85,-12.47,;-39.2,-10.17,;-39.2,-8.62,;-37.85,-7.86,;-37.85,-6.31,;-36.51,-8.62,;-40.53,-10.94,;-41.85,-10.17,;-41.85,-8.62,;-43.2,-10.95,;-43.2,-12.48,;-41.85,-13.26,;-41.85,-14.79,;-40.51,-15.56,;-40.51,-17.1,;-41.85,-17.87,;-39.18,-17.88,;-44.54,-10.18,;-45.85,-10.94,;-45.85,-12.49,;-47.19,-10.18,;-48.54,-10.95,;-49.86,-10.18,;-49.86,-8.64,;-51.19,-10.96,;-52.54,-10.18,;-53.88,-10.96,;-53.88,-12.5,;-55.2,-10.19,;-55.2,-8.64,;-53.86,-7.88,;-52.55,-8.63,;-51.23,-7.87,;-51.22,-6.32,;-49.89,-5.55,;-52.56,-5.56,;-53.89,-6.33,;-56.54,-10.96,;-57.87,-10.19,;-59.21,-10.96,;-57.87,-8.65,;-56.49,-7.94,;-57.03,-6.35,;-58.71,-6.37,;-59.21,-7.96,;-60.63,-8.57,;-60.93,-10.08,;-61.82,-7.56,;-61.53,-6.05,;-63.27,-8.07,;-64.43,-7.08,;-64.16,-5.56,;-65.9,-7.59,;-66.17,-9.1,;-67.06,-6.59,;-68.51,-7.1,;-68.8,-8.61,;-69.69,-6.09,;-71.15,-6.62,;-69.4,-4.57,;-67.95,-4.06,;-67.66,-2.55,;-66.23,-2.04,;-65.94,-.52,;-64.48,-0,;-67.1,.48,;-47.19,-8.64,;-45.85,-7.86,;-48.54,-7.87,;-13.83,-10.91,;-13.83,-12.44,;-12.49,-10.14,;-11.15,-10.9,;-11.15,-12.44,;-9.82,-13.21,;-9.82,-14.76,;-8.49,-15.52,;-8.49,-17.06,;-9.82,-17.83,;-7.15,-17.84,;-9.82,-10.13,;-9.82,-8.59,;-8.49,-10.89,;-7.16,-10.13,;-7.16,-8.58,;-5.82,-10.9,;-5.82,-12.43,;-4.48,-10.12,;-3.16,-10.89,;-3.16,-12.43,;-1.81,-13.21,;-4.48,-13.2,;-1.81,-10.12,;-1.81,-8.58,;-.48,-10.89,;.85,-10.12,;.85,-8.57,;2.19,-7.8,;-.48,-7.81,;-.48,-6.26,;2.19,-10.88,;2.19,-12.43,;3.53,-10.11,;4.86,-10.89,;4.86,-12.42,;6.19,-13.2,;7.53,-12.42,;8.86,-13.19,;8.86,-14.73,;7.53,-15.5,;6.19,-14.73,;6.19,-10.11,;6.19,-8.56,;7.52,-10.88,;8.86,-10.11,;8.86,-8.56,;7.52,-7.79,;10.19,-7.8,;10.19,-10.88,;10.19,-12.41,;11.53,-10.11,;12.86,-10.87,;12.86,-12.41,;14.2,-13.18,;14.2,-10.1,;14.2,-8.56,;15.53,-10.86,;16.87,-10.1,;18.2,-10.87,;18.2,-12.4,;19.53,-10.09,;20.86,-10.86,;22.21,-10.09,;22.21,-8.55,;23.54,-10.86,;24.87,-10.09,;24.87,-8.54,;26.21,-7.77,;26.21,-10.85,;26.21,-12.4,;27.54,-10.08,;28.87,-10.86,;28.87,-12.39,;30.22,-13.17,;30.22,-14.7,;31.55,-15.47,;31.55,-17.01,;30.22,-17.78,;32.89,-17.78,;30.22,-10.08,;30.22,-8.53,;31.55,-10.85,;32.88,-10.08,;32.88,-8.53,;34.22,-7.77,;35.62,-8.38,;36.65,-7.24,;35.88,-5.91,;36.35,-4.44,;35.32,-3.29,;33.82,-3.62,;33.34,-5.09,;34.37,-6.23,;34.22,-10.85,;35.55,-10.08,;34.22,-12.38,)|
Structure:
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