BioLiP

PDB

BioLiP

PDB CCD ID:

67V

Number of entries in BioLiP:

Chemical formula:

C17 H16 N2 O2

InChI:

InChI=1S/C17H16N2O2/c1-9-13(17(20)21-2)8-14-12-5-3-4-11(10-6-7-10)15(12)19-16(14)18-9/h3-5,8,10H,6-7H2,1-2H3,(H,18,19)

InChIKey:

PMYXVYACIJANSL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)C(=O)OC
CACTVS 3.385	COC(=O)c1cc2c([nH]c3c(cccc23)C4CC4)nc1C

Name:

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

ChEMBL:

CHEMBL5073515

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).