BioLiP

PDB

BioLiP

PDB CCD ID:

P7R

Number of entries in BioLiP:

Chemical formula:

C17 H15 Cl N4 O3

InChI:

InChI=1S/C17H15ClN4O3/c1-22-15-12(7-19-8-13(15)21-17(22)24)20-16(23)10-4-5-25-14-3-2-9(18)6-11(10)14/h2-3,6-8,10H,4-5H2,1H3,(H,20,23)(H,21,24)/t10-/m1/s1

InChIKey:

YNHUBGVMTXFOMC-SNVBAGLBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1C(=O)Nc2cncc(NC(=O)[CH]3CCOc4ccc(Cl)cc34)c12
OpenEye OEToolkits 2.0.7	CN1c2c(cncc2NC(=O)C3CCOc4c3cc(cc4)Cl)NC1=O
CACTVS 3.385	CN1C(=O)Nc2cncc(NC(=O)[C@@H]3CCOc4ccc(Cl)cc34)c12
ACDLabs 12.01	CN1c2c(NC1=O)cncc2NC(=O)C1CCOc2ccc(Cl)cc21
OpenEye OEToolkits 2.0.7	CN1c2c(cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)NC1=O

Name:

(4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).