BioLiP

PDB

BioLiP

PDB CCD ID:

6I4

Number of entries in BioLiP:

Chemical formula:

C15 H14 N2

InChI:

InChI=1S/C15H14N2/c1-9-5-8-13-12-4-2-3-11(10-6-7-10)14(12)17-15(13)16-9/h2-5,8,10H,6-7H2,1H3,(H,16,17)

InChIKey:

QMVQHFCXSBAHPD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc2c3cccc(c3[nH]c2n1)C4CC4
CACTVS 3.385	Cc1ccc2c([nH]c3c(cccc23)C4CC4)n1

Name:

8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole

ChEMBL:

CHEMBL5093860

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).