SEQ2FUN

BioLiP

PDB CCD ID: A1B1Y
Number of entries in BioLiP: 1
Chemical formula: C15 H22 N4 O2
InChI: InChI=1S/C15H22N4O2/c16-13(20)12-5-3-9-18(11-12)14(21)15(6-1-2-7-15)19-10-4-8-17-19/h4,8,10,12H,1-3,5-7,9,11H2,(H2,16,20)/t12-/m0/s1
InChIKey: YQFLIUDOUNFRNX-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)[C@H]1CCCN(C1)C(=O)C2(CCCC2)n3cccn3
OpenEye OEToolkits 3.1.0.0c1cnn(c1)C2(CCCC2)C(=O)N3CCCC(C3)C(=O)N
CACTVS 3.385NC(=O)[CH]1CCCN(C1)C(=O)C2(CCCC2)n3cccn3
OpenEye OEToolkits 3.1.0.0c1cnn(c1)C2(CCCC2)C(=O)N3CCC[C@@H](C3)C(=O)N
ACDLabs 14.52NC(=O)C1CCCN(C1)C(=O)C1(CCCC1)n1cccn1
Name:(3S)-1-[1-(1H-pyrazol-1-yl)cyclopentane-1-carbonyl]piperidine-3-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).