BioLiP

PDB

BioLiP

PDB CCD ID:

EYI

Number of entries in BioLiP:

Chemical formula:

C22 H21 F N4

InChI:

InChI=1S/C22H21FN4/c23-16-8-6-15(7-9-16)20-21(18-10-12-24-22-19(18)11-13-25-22)27(14-26-20)17-4-2-1-3-5-17/h6-14,17H,1-5H2,(H,24,25)

InChIKey:

CPDVWRAEVIUDHW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc5c4cc[nH]5)F
CACTVS 3.385	Fc1ccc(cc1)c2ncn(C3CCCCC3)c2c4ccnc5[nH]ccc45

Name:

4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine

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).