BioLiP

PDB

BioLiP

PDB CCD ID:

Y70

Number of entries in BioLiP:

Chemical formula:

C13 H11 N3 O4

InChI:

InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m0/s1

InChIKey:

UVSMNLNDYGZFPF-QMMMGPOBSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C1NC(=O)CCC1N3C(=O)c2cccc(c2C3=O)N
CACTVS 3.385	Nc1cccc2C(=O)N([C@H]3CCC(=O)NC3=O)C(=O)c12
OpenEye OEToolkits 1.9.2	c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O
CACTVS 3.385	Nc1cccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c12
OpenEye OEToolkits 1.9.2	c1cc2c(c(c1)N)C(=O)N(C2=O)C3CCC(=O)NC3=O

Name:

S-Pomalidomide

ChEMBL:

CHEMBL2093113

ZINC:

ZINC000003940470

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).