BioLiP

PDB

BioLiP

PDB CCD ID:

86T

Number of entries in BioLiP:

Chemical formula:

C19 H17 Cl N6 O2

InChI:

InChI=1S/C19H17ClN6O2/c1-13-4-3-5-18(26-19(27)24(2)22-23-26)17(13)12-28-16-10-21-25(11-16)15-8-6-14(20)7-9-15/h3-11H,12H2,1-2H3

InChIKey:

BIKREOLTHZCLJJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1N=NN(C1=O)c2cccc(C)c2COc3cnn(c3)c4ccc(Cl)cc4
OpenEye OEToolkits 2.0.7	Cc1cccc(c1COc2cnn(c2)c3ccc(cc3)Cl)N4C(=O)N(N=N4)C

Name:

metyltetraprole;
44WE6KNK7M

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).