BioLiP

PDB

BioLiP

PDB CCD ID:

VOZ

Number of entries in BioLiP:

Chemical formula:

C21 H21 N3 O

InChI:

InChI=1S/C21H21N3O/c25-21(24-9-1-2-17-12-22-8-7-18(17)13-24)20-11-16-6-5-15(14-3-4-14)10-19(16)23-20/h5-8,10-12,14,23H,1-4,9,13H2

InChIKey:

FOEUSFMNKKBIIE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc2c1cc([nH]2)C(=O)N3CCCc4cnccc4C3)C5CC5
CACTVS 3.385	O=C(N1CCCc2cnccc2C1)c3[nH]c4cc(ccc4c3)C5CC5

Name:

(6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone

ChEMBL:

CHEMBL5597368

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).