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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00327252

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN11
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO1
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
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.71
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.71
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.71
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.71
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.71
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.78
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.78
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.78
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.78
APD3-METHYLPHENYLALANINEA,B,C1GMY0.71
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
TPRTOSYL-D-PROLINEA1F4E0.75
IBPIBUPROFENA3FKX0.75
IBPIBUPROFENA,B2BXG0.75
IBPIBUPROFENA,B1EQG0.75
IBPIBUPROFENA,B,C2WD90.75
IBPIBUPROFENA2PWS0.75
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.73
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDA1QGF0.76
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E340.76
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E350.76
HPEHOMOPHENYLALANINEA,B1B1H0.73
PHIIODO-PHENYLALANINEA1TF90.71
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.71
PHIIODO-PHENYLALANINEA1T6H0.71
PHIIODO-PHENYLALANINEA,B,C1NLU0.71
PHIIODO-PHENYLALANINEA,I1GA10.71
PHIIODO-PHENYLALANINEA,I1GA40.71
PHIIODO-PHENYLALANINEP1CZI0.71
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.78
DPND-PHENYLALANINEP1MCS0.73
DPND-PHENYLALANINEA1GOE0.73
DPND-PHENYLALANINEA2RM90.73
DPND-PHENYLALANINEA1SOC0.73
DPND-PHENYLALANINEB,C,E,F1SFQ0.73
DPND-PHENYLALANINEI1ABJ0.73
DPND-PHENYLALANINEP1DWE0.73
DPND-PHENYLALANINEI,M1HLT0.73
DPND-PHENYLALANINEA,H,L1J9C0.73
DPND-PHENYLALANINEI,T1TMB0.73
DPND-PHENYLALANINEA2JRY0.73
DPND-PHENYLALANINEA2SOC0.73
DPND-PHENYLALANINEA2YYF0.73
DPND-PHENYLALANINEI2HGT0.73
DPND-PHENYLALANINEA,D2Q3I0.73
DPND-PHENYLALANINEA,P1MCD0.73
DPND-PHENYLALANINEP1HAO0.73
DPND-PHENYLALANINEA,B,I1Z8J0.73
DPND-PHENYLALANINEA,B,C2PGQ0.73
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.73
DPND-PHENYLALANINEP1NRR0.73
DPND-PHENYLALANINEI1PPB0.73
DPND-PHENYLALANINEC,D,G,H1NU70.73
DPND-PHENYLALANINEI2HPP0.73
DPND-PHENYLALANINEB,C2OD30.73
DPND-PHENYLALANINEA1B0Q0.73
DPND-PHENYLALANINEB,C,E,F1NU90.73
DPND-PHENYLALANINEA,B,I1Z8I0.73
DPND-PHENYLALANINEH,I,J1TMU0.73
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.73
DPND-PHENYLALANINEA1GO90.73
DPND-PHENYLALANINEB,C,E,F1A0H0.73
DPND-PHENYLALANINEP1MCF0.73
DPND-PHENYLALANINEA2RME0.73
DPND-PHENYLALANINEH,I1TMT0.73
DPND-PHENYLALANINEI1ABI0.73
DPND-PHENYLALANINER1NRQ0.73
DPND-PHENYLALANINEB,C,F,G2A1D0.73
DPND-PHENYLALANINEA,B2Q330.73
DPND-PHENYLALANINEC,H,L1DAN0.73
DPND-PHENYLALANINEP1MCE0.73
DPND-PHENYLALANINEB,C,E,F2A450.73
DPND-PHENYLALANINEA2RMI0.73
DPND-PHENYLALANINEA,B,I1TQ70.73
DPND-PHENYLALANINEA1W7M0.73
DPND-PHENYLALANINEP1HAP0.73
DPND-PHENYLALANINEA,B1ORF0.73
DPND-PHENYLALANINEI1IHS0.73
DPND-PHENYLALANINEP1MCC0.73
DPND-PHENYLALANINEA2RMD0.73
DPND-PHENYLALANINEA2JQB0.73
DPND-PHENYLALANINEI2HPQ0.73
DPND-PHENYLALANINEC,E,F1SHH0.73
DPND-PHENYLALANINEA,I1CVR0.73
DPND-PHENYLALANINEL,P1AUT0.73
DPND-PHENYLALANINEP1MCI0.73
DPND-PHENYLALANINEH,I3F6U0.73
DPND-PHENYLALANINEA1BFW0.73
DPND-PHENYLALANINEH,I1HAI0.73
DPND-PHENYLALANINEB,C2THF0.73
DPND-PHENYLALANINEI1IHT0.73
DPND-PHENYLALANINEA,P1MCJ0.73
DPND-PHENYLALANINEA1TKH0.73
DPND-PHENYLALANINEC,H,L,T2FIR0.73
DPND-PHENYLALANINEA2FMZ0.73
DPND-PHENYLALANINEA1YL90.73
DPND-PHENYLALANINEI1HUT0.73
DPND-PHENYLALANINEI1FXY0.73
DPND-PHENYLALANINEA1YL80.73
DPND-PHENYLALANINEC,H,L1QFK0.73
DPND-PHENYLALANINEP1MCB0.73
7912-PHENYLMALONIC ACIDA1O4P0.75
MAJindane-5-sulfonamideA2QOA0.72
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.78
173BENZOYL-FORMIC ACIDA,B1SZE0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.81
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.85
BDLN-(biphenyl-4-ylsulfonyl)-D-leucineA3EHX0.77
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.75
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.75
4PH4-methyl-L-phenylalanineB,C3BV90.71
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.79
2BL(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-
L-aspartic acid
A1BTU0.77
FLPFLURBIPROFENA,B,C,D3PGH0.71
FLPFLURBIPROFENA,B1CQE0.71
FLPFLURBIPROFENA,B1EQH0.71
FLPFLURBIPROFENA,B2AYL0.71
FLPFLURBIPROFENA1DVT0.71
FLPFLURBIPROFENA1R9O0.71
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.92
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.92
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.76
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.76
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.76
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.76
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.76
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.76
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
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.75
IOYP-IODO-D-PHENYLALANINEA1XBU0.71
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
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.8
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.7
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.7
BFLA,B1Q4G0.73
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.81
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.76
BZSL-BENZYLSUCCINIC ACIDA1CBX0.78
BZSL-BENZYLSUCCINIC ACIDA1HYT0.78
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.78
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.8
235(2S)-2-[3-(AMINOMETHYL)PHENYL]-
3-[(R)-HYDROXY{(1R)-2-METHYL-1-
[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID
A,B,C2PJ70.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.76
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.8
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.8
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71
CLT4-PHENYL-BUTANOIC ACIDA1THL0.81
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.81
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.81
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.7
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.7