BioLiP

PDB

BioLiP

PDB CCD ID:

N6V

Number of entries in BioLiP:

Chemical formula:

C19 H25 N5 O2

InChI:

InChI=1S/C19H25N5O2/c1-4-23(5-2)10-11-24-9-8-15-13-16(6-7-17(15)24)20-19(25)21-18-12-14(3)26-22-18/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,20,21,22,25)

InChIKey:

ORYDIOADGVZPNI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCN(CC)CCn1ccc2c1ccc(c2)NC(=O)Nc3cc(on3)C
CACTVS 3.385	CCN(CC)CCn1ccc2cc(NC(=O)Nc3cc(C)on3)ccc12
ACDLabs 12.01	n1(CCN(CC)CC)ccc2c1ccc(c2)NC(Nc3cc(C)on3)=O

Name:

N-{1-[2-(diethylamino)ethyl]-1H-indol-5-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea

ZINC:

ZINC000058310059

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).