Name: MUC1, mucin core
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT214322601
Cas No:149205-73-2
常用名:MUC1, mucin core
别名:MUC1, mucin core
IUPAC:(3S)-3-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-(2-aminoacetamido)-3-methylbutanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]propanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S,2R)-1-{[(2S)-5-carbamimidamido-1-[(2S)-2-{[(2S)-1-[(2S)-2-[({[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid
IUPAC:(3S)-3-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-(2-aminoacetamido)-3-methylbutanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]propanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S,2R)-1-{[(2S)-5-carbamimidamido-1-[(2S)-2-{[(2S)-1-[(2S)-2-[({[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid
InChI key:WDLOVECVQSOHLL-UIXJRKFUSA-N

分子式:C61H101N19O24
分子量:1484.588
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@H](NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
SMILES:CC(C)[C@H](NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O

MUC1, mucin core is a type I transmembrane glycoprotein that is characterized by its overexpression and abnormal glycosylation in carcinoma cells. It specifically binds to domain 1 of ICAM-1.

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