SEQ2FUN

BioLiP

PDB CCD ID: A1AF4
Number of entries in BioLiP: 1
Chemical formula: C28 H30 F N5 O5
InChI: InChI=1S/C28H30FN5O5/c29-21-12-17(14-32-15-19(16-32)33-8-10-39-11-9-33)4-5-18(21)13-30-22-3-1-2-20-25(22)28(38)34(27(20)37)23-6-7-24(35)31-26(23)36/h1-5,12,19,23,30H,6-11,13-16H2,(H,31,35,36)/t23-/m0/s1
InChIKey: NZYDBVQXOGPDDU-QHCPKHFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(c(c1)NCc3ccc(cc3F)CN4CC(C4)N5CCOCC5)C(=O)N(C2=O)C6CCC(=O)NC6=O
OpenEye OEToolkits 2.0.7c1cc2c(c(c1)NCc3ccc(cc3F)CN4CC(C4)N5CCOCC5)C(=O)N(C2=O)[C@H]6CCC(=O)NC6=O
CACTVS 3.385Fc1cc(CN2CC(C2)N3CCOCC3)ccc1CNc4cccc5C(=O)N([C@H]6CCC(=O)NC6=O)C(=O)c45
ACDLabs 12.01O=C1NC(=O)CCC1N1C(=O)c2cccc(NCc3ccc(cc3F)CN3CC(C3)N3CCOCC3)c2C1=O
CACTVS 3.385Fc1cc(CN2CC(C2)N3CCOCC3)ccc1CNc4cccc5C(=O)N([CH]6CCC(=O)NC6=O)C(=O)c45
Name:Golcadomide
ChEMBL: CHEMBL5095226
DrugBank: DB18115
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).