Name: Rac1 Inhibitor W56
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HIT ID:HIT218698620
Cas No:1095179-01-3
Common Name:Rac1 Inhibitor W56
IUPAC:(3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-carboxypropanamido]acetamido}hexanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-carbamoylpropanamido]-4-methylpentanamido]acetamido}-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S,2R)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid
IUPAC:(3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-carboxypropanamido]acetamido}hexanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-carbamoylpropanamido]-4-methylpentanamido]acetamido}-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S,2R)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid
InChIKey:IRORVMNZPUKWEX-YRMQSWGASA-N

Molecular Formula:C74H117N19O23S
Molecular Weight:1672.92
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:CSCC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(O)=O
SMILES:CSCC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(O)=O

Rac1 Inhibitor W56 is a peptide consisting of residues 45-60 of the guanine nucleotide exchange factor (GEF) recognition/activation site of Rac1. It selectively inhibits Rac1 interaction with Rac1-specific GEFs TrioN, GEF-H1, and Tiam1.

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