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BDBM82274 Beta-Endorphin (6-31)

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=WCOFQMXJGOCODK-JXBHHXAKSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 82274   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
neuropeptides B/W receptor 1


(Homo sapiens (Human))		BDBM82274
PNG
(Beta-Endorphin (6-31))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C131H218N34O40/c1-16-68(9)103(127(200)151-82(38-25-30-54-136)112(185)155-90(60-96(138)173)116(189)142-70(11)107(180)152-88(59-76-40-42-77(171)43-41-76)119(192)147-79(35-22-27-51-133)110(183)145-78(34-21-26-50-132)109(182)141-62-98(175)144-85(131(204)205)46-49-100(178)179)162-128(201)104(69(10)17-2)161-108(181)71(12)143-117(190)91(61-97(139)174)154-111(184)80(36-23-28-52-134)148-120(193)89(58-75-32-19-18-20-33-75)153-118(191)86(56-65(3)4)157-129(202)105(73(14)169)163-126(199)102(67(7)8)160-121(194)87(57-66(5)6)156-124(197)94-39-31-55-165(94)130(203)106(74(15)170)164-115(188)83(44-47-95(137)172)149-122(195)92(63-166)158-113(186)81(37-24-29-53-135)146-114(187)84(45-48-99(176)177)150-123(196)93(64-167)159-125(198)101(140)72(13)168/h18-20,32-33,40-43,65-74,78-94,101-106,166-171H,16-17,21-31,34-39,44-64,132-136,140H2,1-15H3,(H2,137,172)(H2,138,173)(H2,139,174)(H,141,182)(H,142,189)(H,143,190)(H,144,175)(H,145,183)(H,146,187)(H,147,192)(H,148,193)(H,149,195)(H,150,196)(H,151,200)(H,152,180)(H,153,191)(H,154,184)(H,155,185)(H,156,197)(H,157,202)(H,158,186)(H,159,198)(H,160,194)(H,161,181)(H,162,201)(H,163,199)(H,164,188)(H,176,177)(H,178,179)(H,204,205)/t68-,69-,70-,71-,72+,73+,74+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,101-,102-,103-,104-,105-,106-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.40E+3n/an/an/an/an/an/an/an/a



Addiction Research Foundation

Curated by PDSP Ki Database




Genomics 28: 84-91 (1995)


Article DOI: 10.1006/geno.1995.1109
BindingDB Entry DOI: 10.7270/Q2ZG6QRZ
More data for this
Ligand-Target Pair