LVV-hemorphin   Click here for help

GtoPdb Ligand ID: 5353

Compound class: Endogenous peptide in human, mouse or rat
Comment: Decapeptide cleaved from the hemoglobin beta subunit precursor protein. This peptide was originally identified in sheep [1].
Species: Human
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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Canonical SMILES CC(CC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CCCN=C(N)N)CCC(=O)N)C(O)C)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)C(C)C)C(C)C)N)C
Isomeric SMILES CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)C(C)C)C(C)C
InChI InChI=1S/C65H93N15O14/c1-34(2)29-43(66)55(84)77-53(36(5)6)61(90)78-52(35(3)4)60(89)75-48(30-39-21-23-41(82)24-22-39)63(92)80-28-14-20-50(80)59(88)74-47(32-40-33-71-44-18-12-11-17-42(40)44)58(87)79-54(37(7)81)62(91)73-46(25-26-51(67)83)57(86)72-45(19-13-27-70-65(68)69)56(85)76-49(64(93)94)31-38-15-9-8-10-16-38/h8-12,15-18,21-24,33-37,43,45-50,52-54,71,81-82H,13-14,19-20,25-32,66H2,1-7H3,(H2,67,83)(H,72,86)(H,73,91)(H,74,88)(H,75,89)(H,76,85)(H,77,84)(H,78,90)(H,79,87)(H,93,94)(H4,68,69,70)/t37-,43+,45+,46+,47+,48+,49+,50+,52+,53+,54+/m1/s1
InChI Key NBQSSMDPPLHNDC-GSOGOTFGSA-N
Classification Click here for help
Compound class Endogenous peptide in human, mouse or rat
Gene/Precursor Click here for help
Gene symbol Gene name Species Precursor protein name Synonyms
HBB hemoglobin subunit beta Human prepro-hemoglobin subunit beta beta-globin, CD113t-C, HBD, hemoglobin, beta
Database Links Click here for help
DrugBank Target P68871 (Hs)
Ensembl Gene ENSG00000244734 (Hs)
GtoPdb PubChem SID 178102015
Human Protein Atlas ENSG00000244734 (Hs)
PubChem CID 126532
Search Google for chemical match using the InChIKey NBQSSMDPPLHNDC-GSOGOTFGSA-N
Search Google for chemicals with the same backbone NBQSSMDPPLHNDC
UniChem Compound Search for chemical match using the InChIKey NBQSSMDPPLHNDC-GSOGOTFGSA-N
UniChem Connectivity Search for chemical match using the InChIKey NBQSSMDPPLHNDC-GSOGOTFGSA-N
UniProtKB P68871 (Hs)