Reaction Details Report a problem with these data
Target
Neuropilin-1
Ligand
BDBM50452925
Substrate
n/a
Meas. Tech.
ChEMBL_1748923 (CHEMBL4183433)
Kd
1560±n/a nM
Citation
 Powell, J; Mota, F; Steadman, D; Soudy, C; Miyauchi, JT; Crosby, S; Jarvis, A; Reisinger, T; Winfield, N; Evans, G; Finniear, A; Yelland, T; Chou, YT; Chan, AWE; O'Leary, A; Cheng, L; Liu, D; Fotinou, C; Milagre, C; Martin, JF; Jia, H; Frankel, P; Djordjevic, S; Tsirka, SE; Zachary, IC; Selwood, DL Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF?) Production in Regulatory T-Cells. J Med Chem 61:4135-4154 (2018) [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:
BDBM50452925
Synonyms:
CHEMBL4214327
Type:
Small organic molecule
Emp. Form.:
C32H39N7O7S2
Mol. Mass.:
697.825
SMILES:
NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(CN2CCC(CC2)C(N)=O)c1)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: