CY0

S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE

Created:	2006-09-14
Last modified:	2024-09-27

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1 entries where CY0 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	1
Bond Count	52
Aromatic Bond Count	17

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Chemical Component Summary
Name	S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE
Systematic Name (OpenEye OEToolkits)	(2R)-2-amino-3-[3-oxo-3-[(4-phenylazanylquinazolin-6-yl)amino]propyl]sulfanyl-propanoic acid
Formula	C₂₀ H₂₁ N₅ O₃ S
Molecular Weight	411.477
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)CSCCC(=O)Nc3cc1c(ncnc1Nc2ccccc2)cc3
SMILES	CACTVS	3.341	N[CH](CSCCC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)Nc2c3cc(ccc3ncn2)NC(=O)CCSCC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](CSCCC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)Nc2c3cc(ccc3ncn2)NC(=O)CCSC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C20H21N5O3S/c21-16(20(27)28)11-29-9-8-18(26)24-14-6-7-17-15(10-14)19(23-12-22-17)25-13-4-2-1-3-5-13/h1-7,10,12,16H,8-9,11,21H2,(H,24,26)(H,27,28)(H,22,23,25)/t16-/m0/s1
InChIKey	InChI	1.03	NLVZTRZPMRTVRC-INIZCTEOSA-N

Drug Info: DrugBank

DrugBank ID	DB07602
Name	S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE
Groups	experimental
Synonyms	S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Epidermal growth factor receptor	MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLS...	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