Reaction Details Report a problem with these data
Target
Vasopressin V1b receptor
Ligand
BDBM50221816
Substrate
n/a
Meas. Tech.
ChEMBL_446242 (CHEMBL895347)
Ki
>1000±n/a nM
Citation
 Albizu, L; Teppaz, G; Seyer, R; Bazin, H; Ansanay, H; Manning, M; Mouillac, B; Durroux, T Toward efficient drug screening by homogeneous assays based on the development of new fluorescent vasopressin and oxytocin receptor ligands. J Med Chem 50:4976-85 (2007) [PubMed]  Article 
Target
Name:
Vasopressin V1b receptor
Synonyms:
AVPR V1b | AVPR V3 | AVPR1B | AVPR3 | Antidiuretic hormone receptor 1b | V1BR_HUMAN | V1bR | VASOPRESSIN V1B | VPR3 | Vasopressin V1b receptor | Vasopressin V1b receptor (V1b) | Vasopressin V3 | Vasopressin V3 receptor
Type:
Enzyme
Mol. Mass.:
46985.01
Organism:
Homo sapiens (Human)
Description:
P47901
Residue:
424
Sequence:
MDSGPLWDANPTPRGTLSAPNATTPWLGRDEELAKVEIGVLATVLVLATGGNLAVLLTLGQLGRKRSRMHLFVLHLALTDLAVALFQVLPQLLWDITYRFQGPDLLCRAVKYLQVLSMFASTYMLLAMTLDRYLAVCHPLRSLQQPGQSTYLLIAAPWLLAAIFSLPQVFIFSLREVIQGSGVLDCWADFGFPWGPRAYLTWTTLAIFVLPVTMLTACYSLICHEICKNLKVKTQAWRVGGGGWRTWDRPSPSTLAATTRGLPSRVSSINTISRAKIRTVKMTFVIVLAYIACWAPFFSVQMWSVWDKNAPDEDSTNVAFTISMLLGNLNSCCNPWIYMGFNSHLLPRPLRHLACCGGPQPRMRRRLSDGSLSSRHTTLLTRSSCPATLSLSLSLTLSGRPRPEESPRDLELADGEGTAETIIF
  
Inhibitor
Name:
BDBM50221816
Synonyms:
5-({N-[(1S)-5-amino-1-carbamoylpentyl]-1-[(3S)-1-[(2S)-5-carbamimidamido-2-[(2S)-3-carbamoyl-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2R)-3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-N-methylpropanamido]propanamido]-3-phenylpropanamido]butanamido]propanamido]pentanoyl]pyrrolidin-3-yl]formamido}carbonyl)-2-(6-amino-3-iminiumyl-4,5-disulfonato-3H-xanthen-9-yl)benzoate | CID44428108 | [Lys8(Alexa 546)]PVA
Type:
Small organic molecule
Emp. Form.:
C75H86N16O22S2
Mol. Mass.:
1627.71
SMILES:
CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CC[C@@H](C1)C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc(c(c1)C([O-])=O)-c1c2ccc(N)c(c2oc2c(c(=[NH2+])ccc12)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)CCc1ccc(O)cc1 |wU:14.14,55.59,2.1,34.35,wD:42.43,60.62,25.26,(1.76,-36.72,;1.76,-38.26,;3.1,-39.04,;3.1,-40.58,;4.44,-41.34,;4.43,-42.88,;5.77,-43.65,;7.1,-42.87,;8.44,-43.65,;7.1,-41.33,;5.77,-40.57,;4.43,-38.26,;4.43,-36.72,;5.77,-39.03,;7.11,-38.26,;7.1,-36.72,;8.44,-35.95,;9.77,-36.71,;11.1,-35.95,;11.1,-34.4,;9.76,-33.63,;8.43,-34.41,;8.44,-39.03,;8.44,-40.57,;9.78,-38.25,;11.11,-39.02,;11.11,-40.57,;12.44,-41.33,;12.45,-42.87,;13.78,-43.64,;11.11,-43.65,;12.44,-38.25,;12.44,-36.71,;13.78,-39.02,;15.11,-38.24,;15.11,-36.7,;16.44,-35.93,;17.78,-36.7,;16.44,-34.39,;16.45,-39.02,;16.45,-40.56,;17.78,-38.24,;19.12,-39.01,;19.12,-40.55,;20.46,-41.32,;20.46,-42.86,;21.79,-43.63,;21.79,-45.17,;23.13,-45.94,;20.47,-45.94,;20.45,-38.24,;20.45,-36.69,;21.78,-39,;22.55,-40.34,;24.06,-40.01,;24.22,-38.47,;22.81,-37.86,;25.56,-37.7,;25.56,-36.16,;26.9,-38.47,;26.9,-40.01,;25.56,-40.79,;25.56,-42.33,;24.23,-43.09,;24.23,-44.63,;25.56,-45.41,;28.24,-40.79,;28.23,-42.33,;29.57,-40.02,;28.23,-37.71,;29.56,-38.48,;28.23,-36.17,;29.56,-35.41,;29.56,-33.87,;28.23,-33.12,;26.91,-33.87,;26.9,-35.4,;25.41,-33.48,;24.33,-34.56,;25.01,-32,;28.23,-31.58,;29.56,-30.81,;30.88,-31.57,;32.21,-30.81,;32.21,-29.27,;33.54,-28.51,;30.88,-28.51,;29.56,-29.27,;28.23,-28.5,;26.9,-29.27,;25.58,-28.5,;24.25,-29.27,;22.92,-28.5,;24.25,-30.8,;25.57,-31.57,;26.9,-30.81,;25.58,-26.97,;25.56,-25.44,;27.11,-26.96,;24.04,-26.97,;30.88,-26.98,;30.87,-25.45,;29.35,-26.98,;32.42,-26.97,;.44,-39.04,;.44,-40.58,;-.9,-38.27,;-2.23,-39.05,;-3.59,-38.27,;-4.93,-39.05,;-6.25,-38.27,;-6.24,-36.73,;-7.58,-35.96,;-4.92,-35.96,;-3.58,-36.72,)|
Structure:
Search PDB for entries with ligand similarity: