PYC

PYRROLE-2-CARBOXYLATE

Created:	2000-03-27
Last modified:	2011-06-04

Find Related PDB Entry
13 entries where PYC is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	-1
Atom Count	12
Chiral Atom Count	0
Bond Count	12
Aromatic Bond Count	5

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	PYRROLE-2-CARBOXYLATE
Systematic Name (OpenEye OEToolkits)	1H-pyrrole-2-carboxylate
Formula	C₅ H₄ N O₂
Molecular Weight	110.091
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-]C(=O)c1cccn1
SMILES	CACTVS	3.341	[O-]C(=O)c1[nH]ccc1
SMILES	OpenEye OEToolkits	1.5.0	c1cc([nH]c1)C(=O)[O-]
Canonical SMILES	CACTVS	3.341	[O-]C(=O)c1[nH]ccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc([nH]c1)C(=O)[O-]
InChI	InChI	1.03	InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)/p-1
InChIKey	InChI	1.03	WRHZVMBBRYBTKZ-UHFFFAOYSA-M

Drug Info: DrugBank

DrugBank ID	DB02543
Name	Pyrrole-2-Carboxylate
Groups	experimental
Synonyms	Pyrrole-2-Carboxylate
Categories	Amino Acids Amino Acids, Cyclic Amino Acids, Peptides, and Proteins Imino Acids

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Monomeric sarcosine oxidase	MSTHFDVIVVGAGSMGMAAGYQLAKQGVKTLLVDAFDPPHTNGSHHGDTR...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682