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BioLiP Library

PDB CCD ID: BAS
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N O
InChI: InChI=1S/C10H13NO/c1-2-10(11-8-12)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3,(H,11,12)/t10-/m1/s1
InChIKey: UERJGKDKJBSKQN-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC[CH](NC=O)c1ccccc1
OpenEye OEToolkits 1.5.0CCC(c1ccccc1)NC=O
CACTVS 3.341CC[C@@H](NC=O)c1ccccc1
ACDLabs 10.04O=CNC(c1ccccc1)CC
OpenEye OEToolkits 1.5.0CC[C@H](c1ccccc1)NC=O
Name:N-(1-PHENYL-PROPYL)-FORMAMIDE
DrugBank: DB07436
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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