BioLiP

PDB

BioLiP

PDB CCD ID:

8NJ

Number of entries in BioLiP:

Chemical formula:

C20 H16 N2 O2

InChI:

InChI=1S/C20H16N2O2/c1-22-13-17(16-11-12-21-19(16)20(22)23)15-9-5-6-10-18(15)24-14-7-3-2-4-8-14/h2-13,21H,1H3

InChIKey:

NUAFIMXCNWRSMX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CN1C=C(c2cc[nH]c2C1=O)c3ccccc3Oc4ccccc4
ACDLabs 12.01	c1cccc(c1)Oc2ccccc2C=4c3ccnc3C(N(C=4)C)=O
CACTVS 3.385	CN1C=C(c2ccccc2Oc3ccccc3)c4cc[nH]c4C1=O

Name:

6-methyl-4-(2-phenoxyphenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one

ChEMBL:

CHEMBL3980983

ZINC:

ZINC000146384606

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).