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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02348620

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.85
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ60.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z
1VQP0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z
1VQN0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.73
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.78
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.78
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.78
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.78
PAC2-PHENYLACETIC ACIDB1PNL0.8
PAC2-PHENYLACETIC ACIDB1K5Q0.8
PAC2-PHENYLACETIC ACIDB1FXH0.8
PAC2-PHENYLACETIC ACIDA2ISF0.8
PAC2-PHENYLACETIC ACIDA2INE0.8
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.71
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.71
ISFA,B1PGE0.75
IBPIBUPROFENA3FKX0.75
IBPIBUPROFENA,B2BXG0.75
IBPIBUPROFENA,B1EQG0.75
IBPIBUPROFENA,B,C2WD90.75
IBPIBUPROFENA2PWS0.75
DFADIPHENYLACETIC ACIDA,B,C1GMY0.8
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.72
BFLA,B1Q4G0.79
OAP4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-
5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID
A,B,C,D,E,F1KVO0.72
BZSL-BENZYLSUCCINIC ACIDA1CBX0.76
BZSL-BENZYLSUCCINIC ACIDA1HYT0.76
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.76
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.78
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.85
SPATHIOPHENEACETIC ACIDB1AJQ0.72
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.84
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.84
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.84
7912-PHENYLMALONIC ACIDA1O4P0.73
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.78
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.79
173BENZOYL-FORMIC ACIDA,B1SZE0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.81
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.75
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.75
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.75
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.75
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.73
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.73
FLPFLURBIPROFENA,B,C,D3PGH0.76
FLPFLURBIPROFENA,B1CQE0.76
FLPFLURBIPROFENA,B1EQH0.76
FLPFLURBIPROFENA,B2AYL0.76
FLPFLURBIPROFENA1DVT0.76
FLPFLURBIPROFENA1R9O0.76
4FCA1YSG0.7
HCIHYDROCINNAMIC ACIDA,B1BXG0.82
HCIHYDROCINNAMIC ACIDA,B1TOG0.82
HCIHYDROCINNAMIC ACIDA,B1V2F0.82
HCIHYDROCINNAMIC ACIDA,B1AHX0.82
HCIHYDROCINNAMIC ACIDA1TOI0.82
HCIHYDROCINNAMIC ACIDA,B1AY80.82
HCIHYDROCINNAMIC ACIDA1TOJ0.82
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.71
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.71
RP4(1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-
(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-
1-CARBOXYLIC ACID
A,B,C,D,E,F,
G,H,I,J,K,L
2CJF0.74
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.8
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.8
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.73
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.8
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.76
4TB4-(2-THIENYL)BUTYRIC ACIDA,B2AY80.8
BCSBENZYLCYSTEINEA,B,G,H10GS0.72
BCSBENZYLCYSTEINEA1EH80.72
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.8
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.8
CLT4-PHENYL-BUTANOIC ACIDA1THL0.81
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.81
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.81