SEQ2FUN

BioLiP

PDB CCD ID: MR3
Number of entries in BioLiP: 1
Chemical formula: C5 H7 N
InChI: InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
InChIKey: OXHNLMTVIGZXSG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04c1cccn1C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		Cn1cccc1
Name:1-METHYL-1H-PYRROLE
ChEMBL: CHEMBL1234459
ZINC: ZINC000001692446
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).