BioLiP

PDB

BioLiP

PDB CCD ID:

VJZ

Number of entries in BioLiP:

Chemical formula:

C23 H23 N7 O

InChI:

InChI=1S/C23H23N7O/c1-15-11-18(20-12-25-29(4)16(20)2)6-7-19(15)22-26-27-23(31-22)28(3)13-17-5-8-21-24-9-10-30(21)14-17/h5-12,14H,13H2,1-4H3

InChIKey:

SERBYZUNBVTZJZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5cnn(c5C)C
CACTVS 3.385	CN(Cc1ccc2nccn2c1)c3oc(nn3)c4ccc(cc4C)c5cnn(C)c5C

Name:

5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine

ChEMBL:

CHEMBL4873217

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).