SEQ2FUN

BioLiP

PDB CCD ID: A1B1N
Number of entries in BioLiP: 1
Chemical formula: C12 H16 N4 O3
InChI: InChI=1S/C12H16N4O3/c1-19-11-9(3-2-5-14-11)15-12(18)16-6-4-8(7-16)10(13)17/h2-3,5,8H,4,6-7H2,1H3,(H2,13,17)(H,15,18)/t8-/m0/s1
InChIKey: IOCUHOZGYZOKAP-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0COc1c(cccn1)NC(=O)N2CCC(C2)C(=O)N
CACTVS 3.385COc1ncccc1NC(=O)N2CC[CH](C2)C(N)=O
CACTVS 3.385COc1ncccc1NC(=O)N2CC[C@@H](C2)C(N)=O
OpenEye OEToolkits 3.1.0.0COc1c(cccn1)NC(=O)N2CC[C@@H](C2)C(=O)N
ACDLabs 14.52O=C(N)C1CCN(C1)C(=O)Nc1cccnc1OC
Name:(3S)-N~1~-(2-methoxypyridin-3-yl)pyrrolidine-1,3-dicarboxamide
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).