BioLiP

PDB

BioLiP

PDB CCD ID:

5NP

Number of entries in BioLiP:

Chemical formula:

C21 H15 Cl N4 O2

InChI:

InChI=1S/C21H15ClN4O2/c22-16-5-3-15(4-6-16)21-18-13-24-9-7-17(18)20(28)26(21)11-10-25(21)19(27)14-2-1-8-23-12-14/h1-9,12-13H,10-11H2/t21-/m0/s1

InChIKey:

QZSZPSDRJPPZDZ-NRFANRHFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1cc(cnc1)C(=O)N2CCN3C2(c4cnccc4C3=O)c5ccc(cc5)Cl
CACTVS 3.385	Clc1ccc(cc1)[C@]23N(CCN2C(=O)c4ccncc34)C(=O)c5cccnc5
CACTVS 3.385	Clc1ccc(cc1)[C]23N(CCN2C(=O)c4ccncc34)C(=O)c5cccnc5
OpenEye OEToolkits 2.0.4	c1cc(cnc1)C(=O)N2CCN3[C@]2(c4cnccc4C3=O)c5ccc(cc5)Cl

Name:

(9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one;
BTA-9881

ChEMBL:

CHEMBL3393656

ZINC:

ZINC000115087175

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).