BioLiP

PDB

BioLiP

PDB CCD ID:

7M2

Number of entries in BioLiP:

Chemical formula:

C16 H13 N3

InChI:

InChI=1S/C16H13N3/c1-2-7-14-13(6-1)18-16(12-5-3-9-17-11-12)15-8-4-10-19(14)15/h1-11,16,18H/t16-/m1/s1

InChIKey:

BSOBGTYXYGHUTD-MRXNPFEDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N1[C@H](c2cccnc2)c3cccn3c4ccccc14
CACTVS 3.385	N1[CH](c2cccnc2)c3cccn3c4ccccc14
OpenEye OEToolkits 2.0.6	c1ccc-2c(c1)N[C@@H](c3n2ccc3)c4cccnc4
OpenEye OEToolkits 2.0.6	c1ccc-2c(c1)NC(c3n2ccc3)c4cccnc4

Name:

(4~{R})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline

ZINC:

ZINC000000138103

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).