BioLiP

PDB

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C12 H10 F N3 S

InChI:

InChI=1S/C12H10FN3S/c13-7-3-1-4-8-10(7)11(14)16-12(15-8)9-5-2-6-17-9/h1-6,12,15H,(H2,14,16)/t12-/m1/s1

InChIKey:

OGKZGPSVQKXXOY-GFCCVEGCSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC1=N[CH](Nc2cccc(F)c12)c3sccc3
CACTVS 3.341	NC1=N[C@@H](Nc2cccc(F)c12)c3sccc3
ACDLabs 10.04	Fc3c1c(NC(N=C1N)c2sccc2)ccc3
OpenEye OEToolkits 1.5.0	c1cc2c(c(c1)F)C(=NC(N2)c3cccs3)N
OpenEye OEToolkits 1.5.0	c1cc2c(c(c1)F)C(=N[C@@H](N2)c3cccs3)N

Name:

(2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE

ZINC:

ZINC000058583345

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).