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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02178719

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OSB2-SUCCINYLBENZOATEA1FHV0.71
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.71
OSB2-SUCCINYLBENZOATEA,B2QVH0.71
MEAN-METHYLPHENYLALANINEA2PIL0.71
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.71
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.71
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.7
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.7
173BENZOYL-FORMIC ACIDA,B1SZE0.73
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.74
5PV5-PHENYLVALERIC ACIDA,B2AY90.7
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.73
FBCA,B2B9A0.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.7
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.71
4FCA1YSG0.71
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.75
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.74
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.77
4PH4-methyl-L-phenylalanineB,C3BV90.75
IOYP-IODO-D-PHENYLALANINEA1XBU0.74
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.76
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.76
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.76
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.76
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.76
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.76
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.76
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.76
26CA,B2F7I0.71
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.74
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.72
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
H,L1D6V0.75
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
A,B,H,L1AXS0.75
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.87
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.87
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.87
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.87
FRFPHE-REDUCED-PHEA,I1GVX0.74
PG9D-PHENYLGLYCINEA,B,G,H10GS0.73
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.73
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.76
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.79
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.74
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.75
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.72
TRZTRAZEOLIDEA1C120.72
DFADIPHENYLACETIC ACIDA,B,C1GMY0.74
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.71
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.71
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.71
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.71
1TY3-{(3E)-4-HYDROXY-6-OXO-3-[(2-PHENYLETHYL)IMINO]CYCLOHEXA-
1,4-DIEN-1-YL}ALANINE
A,B2CWU0.75
FLPFLURBIPROFENA,B,C,D3PGH0.71
FLPFLURBIPROFENA,B1CQE0.71
FLPFLURBIPROFENA,B1EQH0.71
FLPFLURBIPROFENA,B2AYL0.71
FLPFLURBIPROFENA1DVT0.71
FLPFLURBIPROFENA1R9O0.71
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.74
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J
2BYS0.73
TYTTYROSINE DERIVATIVEA,B1LVN0.77
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.7
PHIIODO-PHENYLALANINEA1TF90.74
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.74
PHIIODO-PHENYLALANINEA1T6H0.74
PHIIODO-PHENYLALANINEA,B,C1NLU0.74
PHIIODO-PHENYLALANINEA,I1GA10.74
PHIIODO-PHENYLALANINEA,I1GA40.74
PHIIODO-PHENYLALANINEP1CZI0.74
DPND-PHENYLALANINEP1MCS0.76
DPND-PHENYLALANINEA1GOE0.76
DPND-PHENYLALANINEA2RM90.76
DPND-PHENYLALANINEA1SOC0.76
DPND-PHENYLALANINEB,C,E,F1SFQ0.76
DPND-PHENYLALANINEI1ABJ0.76
DPND-PHENYLALANINEP1DWE0.76
DPND-PHENYLALANINEI,M1HLT0.76
DPND-PHENYLALANINEA,H,L1J9C0.76
DPND-PHENYLALANINEI,T1TMB0.76
DPND-PHENYLALANINEA2JRY0.76
DPND-PHENYLALANINEA2SOC0.76
DPND-PHENYLALANINEA2YYF0.76
DPND-PHENYLALANINEI2HGT0.76
DPND-PHENYLALANINEA,D2Q3I0.76
DPND-PHENYLALANINEA,P1MCD0.76
DPND-PHENYLALANINEP1HAO0.76
DPND-PHENYLALANINEA,B,I1Z8J0.76
DPND-PHENYLALANINEA,B,C2PGQ0.76
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.76
DPND-PHENYLALANINEP1NRR0.76
DPND-PHENYLALANINEI1PPB0.76
DPND-PHENYLALANINEC,D,G,H1NU70.76
DPND-PHENYLALANINEI2HPP0.76
DPND-PHENYLALANINEB,C2OD30.76
DPND-PHENYLALANINEA1B0Q0.76
DPND-PHENYLALANINEB,C,E,F1NU90.76
DPND-PHENYLALANINEA,B,I1Z8I0.76
DPND-PHENYLALANINEH,I,J1TMU0.76
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.76
DPND-PHENYLALANINEA1GO90.76
DPND-PHENYLALANINEB,C,E,F1A0H0.76
DPND-PHENYLALANINEP1MCF0.76
DPND-PHENYLALANINEA2RME0.76
DPND-PHENYLALANINEH,I1TMT0.76
DPND-PHENYLALANINEI1ABI0.76
DPND-PHENYLALANINER1NRQ0.76
DPND-PHENYLALANINEB,C,F,G2A1D0.76
DPND-PHENYLALANINEA,B2Q330.76
DPND-PHENYLALANINEC,H,L1DAN0.76
DPND-PHENYLALANINEP1MCE0.76
DPND-PHENYLALANINEB,C,E,F2A450.76
DPND-PHENYLALANINEA2RMI0.76
DPND-PHENYLALANINEA,B,I1TQ70.76
DPND-PHENYLALANINEA1W7M0.76
DPND-PHENYLALANINEP1HAP0.76
DPND-PHENYLALANINEA,B1ORF0.76
DPND-PHENYLALANINEI1IHS0.76
DPND-PHENYLALANINEP1MCC0.76
DPND-PHENYLALANINEA2RMD0.76
DPND-PHENYLALANINEA2JQB0.76
DPND-PHENYLALANINEI2HPQ0.76
DPND-PHENYLALANINEC,E,F1SHH0.76
DPND-PHENYLALANINEA,I1CVR0.76
DPND-PHENYLALANINEL,P1AUT0.76
DPND-PHENYLALANINEP1MCI0.76
DPND-PHENYLALANINEH,I3F6U0.76
DPND-PHENYLALANINEA1BFW0.76
DPND-PHENYLALANINEH,I1HAI0.76
DPND-PHENYLALANINEB,C2THF0.76
DPND-PHENYLALANINEI1IHT0.76
DPND-PHENYLALANINEA,P1MCJ0.76
DPND-PHENYLALANINEA1TKH0.76
DPND-PHENYLALANINEC,H,L,T2FIR0.76
DPND-PHENYLALANINEA2FMZ0.76
DPND-PHENYLALANINEA1YL90.76
DPND-PHENYLALANINEI1HUT0.76
DPND-PHENYLALANINEI1FXY0.76
DPND-PHENYLALANINEA1YL80.76
DPND-PHENYLALANINEC,H,L1QFK0.76
DPND-PHENYLALANINEP1MCB0.76
KYNKYNURENINEA,B,C,D2R2N0.72
KYNKYNURENINEA,B3E2Z0.72
KYNKYNURENINEA1XT70.72
KYNKYNURENINEA1T5M0.72
KYNKYNURENINEA1T5N0.72
KYNKYNURENINEA2VOV0.72
KYNKYNURENINEA2VOX0.72
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.72
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.71
BFLA,B1Q4G0.73
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine
A3BKK0.73
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.74
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.76
0A9methyl L-phenylalaninateA1AY20.71
0A9methyl L-phenylalaninateI5ER10.71
0A9methyl L-phenylalaninateI,P1HDT0.71
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.76
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.76
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.76
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.76
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
APD3-METHYLPHENYLALANINEA,B,C1GMY0.75
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.75
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.8
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.8
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.72
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.74
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.74
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.74
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.74
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.74
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.74
TCQ3-((3E)-4-(HYDROXYMETHYL)-6-OXO-
3-{[(1S,2R)-2-PHENYLCYCLOPROPYL]IMINO}CYCLOHEXA-
1,4-DIEN-1-YL)ALANINE
A,B1W4N0.75
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.82
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.73
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.73
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.73
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.76
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.71
HPEHOMOPHENYLALANINEA,B1B1H0.76
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.78