Reaction Details Report a problem with these data
Target
Neuropilin-1
Ligand
BDBM50188967
Substrate
n/a
Meas. Tech.
ChEMBL_389196 (CHEMBL867991)
IC50
3000±n/a nM
Citation
 Bedjeguelal, K; Bienaymé, H; Dumoulin, A; Poigny, S; Schmitt, P; Tam, E Discovery of protein-protein binding disruptors using multi-component condensations small molecules. Bioorg Med Chem Lett 16:3998-4001 (2006) [PubMed]  Article 
Target
Name:
Neuropilin-1
Synonyms:
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1 | NRP | NRP1 | NRP1_HUMAN | Neuropilin-1 | VEGF165R
Type:
PROTEIN
Mol. Mass.:
103122.09
Organism:
Homo sapiens (Human)
Description:
ChEMBL_617636
Residue:
923
Sequence:
MERGLPLLCAVLALVLAPAGAFRNDKCGDTIKIESPGYLTSPGYPHSYHPSEKCEWLIQAPDPYQRIMINFNPHFDLEDRDCKYDYVEVFDGENENGHFRGKFCGKIAPPPVVSSGPFLFIKFVSDYETHGAGFSIRYEIFKRGPECSQNYTTPSGVIKSPGFPEKYPNSLECTYIVFVPKMSEIILEFESFDLEPDSNPPGGMFCRYDRLEIWDGFPDVGPHIGRYCGQKTPGRIRSSSGILSMVFYTDSAIAKEGFSANYSVLQSSVSEDFKCMEALGMESGEIHSDQITASSQYSTNWSAERSRLNYPENGWTPGEDSYREWIQVDLGLLRFVTAVGTQGAISKETKKKYYVKTYKIDVSSNGEDWITIKEGNKPVLFQGNTNPTDVVVAVFPKPLITRFVRIKPATWETGISMRFEVYGCKITDYPCSGMLGMVSGLISDSQITSSNQGDRNWMPENIRLVTSRSGWALPPAPHSYINEWLQIDLGEEKIVRGIIIQGGKHRENKVFMRKFKIGYSNNGSDWKMIMDDSKRKAKSFEGNNNYDTPELRTFPALSTRFIRIYPERATHGGLGLRMELLGCEVEAPTAGPTTPNGNLVDECDDDQANCHSGTGDDFQLTGGTTVLATEKPTVIDSTIQSEFPTYGFNCEFGWGSHKTFCHWEHDNHVQLKWSVLTSKTGPIQDHTGDGNFIYSQADENQKGKVARLVSPVVYSQNSAHCMTFWYHMSGSHVGTLRVKLRYQKPEEYDQLVWMAIGHQGDHWKEGRVLLHKSLKLYQVIFEGEIGKGNLGGIAVDDISINNHISQEDCAKPADLDKKNPEIKIDETGSTPGYEGEGEGDKNISRKPGNVLKTLDPILITIIAMSALGVLLGAVCGVVLYCACWHNGMSERNLSALENYNFELVDGVKLKKDKLNTQSTYSEA
  
Inhibitor
Name:
BDBM50188967
Synonyms:
5-chloro-2-(2-chlorophenyl)-3-(phenethylamino)indolizine-1-carbonitrile | CHEMBL377214
Type:
Small organic molecule
Emp. Form.:
C23H17Cl2N3
Mol. Mass.:
406.307
SMILES:
Clc1ccccc1-c1c(C#N)c2cccc(Cl)n2c1NCCc1ccccc1 |(10.98,-7.54,;11.76,-8.87,;13.29,-8.87,;14.07,-10.2,;13.3,-11.54,;11.76,-11.54,;11,-10.2,;9.46,-10.2,;8.56,-8.95,;9.03,-7.49,;9.51,-6.03,;7.09,-9.43,;5.76,-8.65,;4.43,-9.43,;4.43,-10.97,;5.76,-11.73,;5.76,-13.27,;7.09,-10.97,;8.56,-11.45,;9.03,-12.91,;10.54,-13.23,;11.02,-14.7,;12.52,-15.02,;12.99,-16.48,;14.5,-16.8,;15.53,-15.66,;15.05,-14.19,;13.54,-13.87,)|
Structure:
Search PDB for entries with ligand similarity: