SEQ2FUN

BioLiP

PDB CCD ID: A0D
Number of entries in BioLiP: 4
Chemical formula: C17 H28 N2 O
InChI: InChI=1S/C17H28N2O/c1-2-19-5-3-4-15(19)17(20)18-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,2-10H2,1H3,(H,18,20)/t11-,12+,13-,14+,15-,16-/m1/s1
InChIKey: UJRJQNDIYCDCNX-ZTYXSZCMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCN1CCC[C@@H]1C(=O)NC2C3CC4CC(C3)CC2C4
CACTVS 3.370CCN1CCC[CH]1C(=O)NC2C3CC4CC(C3)CC2C4
OpenEye OEToolkits 1.7.2CCN1CCCC1C(=O)NC2C3CC4CC(C3)CC2C4
ACDLabs 12.01O=C(NC3C1CC2CC(C1)CC3C2)C4N(CC)CCC4
OpenEye OEToolkits 1.7.2CC[N@]1CCC[C@@H]1C(=O)NC2C3CC4CC(C3)CC2C4
Name:N-adamantan-2-yl-1-ethyl-D-prolinamide;
PF-877423;
(1S,2R)-N-(2-adamantyl)-1-ethyl-pyrrolidine-2-carboxamide
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).