BioLiP

PDB

BioLiP

PDB CCD ID:

LVY

Number of entries in BioLiP:

Chemical formula:

C13 H13 N3 O3

InChI:

InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/t10-/m0/s1

InChIKey:

GOTYRUGSSMKFNF-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cccc2C(=O)N(Cc12)[C@H]3CCC(=O)NC3=O
OpenEye OEToolkits 1.9.2	c1cc2c(c(c1)N)CN(C2=O)C3CCC(=O)NC3=O
OpenEye OEToolkits 1.9.2	c1cc2c(c(c1)N)CN(C2=O)[C@H]3CCC(=O)NC3=O
ACDLabs 12.01	O=C1NC(=O)CCC1N3C(=O)c2cccc(c2C3)N
CACTVS 3.385	Nc1cccc2C(=O)N(Cc12)[CH]3CCC(=O)NC3=O

Name:

S-Lenalidomide

ZINC:

ZINC000001997127

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).