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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02874248

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HCIHYDROCINNAMIC ACIDA,B1BXG0.75
HCIHYDROCINNAMIC ACIDA,B1TOG0.75
HCIHYDROCINNAMIC ACIDA,B1V2F0.75
HCIHYDROCINNAMIC ACIDA,B1AHX0.75
HCIHYDROCINNAMIC ACIDA1TOI0.75
HCIHYDROCINNAMIC ACIDA,B1AY80.75
HCIHYDROCINNAMIC ACIDA1TOJ0.75
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.78
CLT4-PHENYL-BUTANOIC ACIDA1THL0.74
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.74
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.74
7912-PHENYLMALONIC ACIDA1O4P0.72
FLPFLURBIPROFENA,B,C,D3PGH0.78
FLPFLURBIPROFENA,B1CQE0.78
FLPFLURBIPROFENA,B1EQH0.78
FLPFLURBIPROFENA,B2AYL0.78
FLPFLURBIPROFENA1DVT0.78
FLPFLURBIPROFENA1R9O0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.74
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.77
4TB4-(2-THIENYL)BUTYRIC ACIDA,B2AY80.7
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.73
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.7
173BENZOYL-FORMIC ACIDA,B1SZE0.74
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.75
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.75
BFLA,B1Q4G0.8
BZSL-BENZYLSUCCINIC ACIDA1CBX0.71
BZSL-BENZYLSUCCINIC ACIDA1HYT0.71
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.71
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.71
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.71
ISFA,B1PGE0.78
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.77
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.75
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.75
IBPIBUPROFENA3FKX0.77
IBPIBUPROFENA,B2BXG0.77
IBPIBUPROFENA,B1EQG0.77
IBPIBUPROFENA,B,C2WD90.77
IBPIBUPROFENA2PWS0.77
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
1VQ60.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.72
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
1VQP0.72
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
1VQN0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.72
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.75
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.71
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.71
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.76
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.76
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.76
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.76
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.76
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.76
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.79
5PV5-PHENYLVALERIC ACIDA,B2AY90.76
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.74
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.8
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.72
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.72
4FCA1YSG0.7
PAC2-PHENYLACETIC ACIDB1PNL0.74
PAC2-PHENYLACETIC ACIDB1K5Q0.74
PAC2-PHENYLACETIC ACIDB1FXH0.74
PAC2-PHENYLACETIC ACIDA2ISF0.74
PAC2-PHENYLACETIC ACIDA2INE0.74
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
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.74
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.74
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.8
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.8
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.8
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.8
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.75
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.76
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.72
DFADIPHENYLACETIC ACIDA,B,C1GMY0.78
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.72
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.72