BioLiP

PDB

BioLiP

PDB CCD ID:

YDI

Number of entries in BioLiP:

Chemical formula:

C16 H20 N4 O3 S

InChI:

InChI=1S/C16H20N4O3S/c1-20(2)7-8-23-11-5-3-10(4-6-11)13-9-12(14(17)21)15(24-13)19-16(18)22/h3-6,9H,7-8H2,1-2H3,(H2,17,21)(H3,18,19,22)

InChIKey:

RFSVVCBVIFWEMZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CN(C)CCOc1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N
ACDLabs 12.01	O=C(Nc1sc(cc1C(=O)N)c2ccc(OCCN(C)C)cc2)N
CACTVS 3.370	CN(C)CCOc1ccc(cc1)c2sc(NC(N)=O)c(c2)C(N)=O

Name:

5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE

ChEMBL:

CHEMBL452021

ZINC:

ZINC000034021557

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).