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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02875124

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IOYP-IODO-D-PHENYLALANINEA1XBU0.72
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.74
INUN-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-
2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE
A7UPJ0.72
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.78
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.78
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.78
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.72
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.7
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.72
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.7
FLPFLURBIPROFENA,B,C,D3PGH0.7
FLPFLURBIPROFENA,B1CQE0.7
FLPFLURBIPROFENA,B1EQH0.7
FLPFLURBIPROFENA,B2AYL0.7
FLPFLURBIPROFENA1DVT0.7
FLPFLURBIPROFENA1R9O0.7
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.73
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.74
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.74
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.74
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.74
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.7
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.76
GAB3-AMINOBENZOIC ACIDA,B3GSB0.76
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.76
GAB3-AMINOBENZOIC ACIDA3FHB0.76
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.72
3AB3-aminobenzamideA,B,C,D3GOY0.7
DMBA,B1SRI0.7
TY23-AMINO-L-TYROSINEA,B2VH30.72
HPEHOMOPHENYLALANINEA,B1B1H0.72
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.73
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.73
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.73
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.73
4PH4-methyl-L-phenylalanineB,C3BV90.75
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.72
DPND-PHENYLALANINEP1MCS0.74
DPND-PHENYLALANINEA1GOE0.74
DPND-PHENYLALANINEA2RM90.74
DPND-PHENYLALANINEA1SOC0.74
DPND-PHENYLALANINEB,C,E,F1SFQ0.74
DPND-PHENYLALANINEI1ABJ0.74
DPND-PHENYLALANINEP1DWE0.74
DPND-PHENYLALANINEI,M1HLT0.74
DPND-PHENYLALANINEA,H,L1J9C0.74
DPND-PHENYLALANINEI,T1TMB0.74
DPND-PHENYLALANINEA2JRY0.74
DPND-PHENYLALANINEA2SOC0.74
DPND-PHENYLALANINEA2YYF0.74
DPND-PHENYLALANINEI2HGT0.74
DPND-PHENYLALANINEA,D2Q3I0.74
DPND-PHENYLALANINEA,P1MCD0.74
DPND-PHENYLALANINEP1HAO0.74
DPND-PHENYLALANINEA,B,I1Z8J0.74
DPND-PHENYLALANINEA,B,C2PGQ0.74
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.74
DPND-PHENYLALANINEP1NRR0.74
DPND-PHENYLALANINEI1PPB0.74
DPND-PHENYLALANINEC,D,G,H1NU70.74
DPND-PHENYLALANINEI2HPP0.74
DPND-PHENYLALANINEB,C2OD30.74
DPND-PHENYLALANINEA1B0Q0.74
DPND-PHENYLALANINEB,C,E,F1NU90.74
DPND-PHENYLALANINEA,B,I1Z8I0.74
DPND-PHENYLALANINEH,I,J1TMU0.74
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.74
DPND-PHENYLALANINEA1GO90.74
DPND-PHENYLALANINEB,C,E,F1A0H0.74
DPND-PHENYLALANINEP1MCF0.74
DPND-PHENYLALANINEA2RME0.74
DPND-PHENYLALANINEH,I1TMT0.74
DPND-PHENYLALANINEI1ABI0.74
DPND-PHENYLALANINER1NRQ0.74
DPND-PHENYLALANINEB,C,F,G2A1D0.74
DPND-PHENYLALANINEA,B2Q330.74
DPND-PHENYLALANINEC,H,L1DAN0.74
DPND-PHENYLALANINEP1MCE0.74
DPND-PHENYLALANINEB,C,E,F2A450.74
DPND-PHENYLALANINEA2RMI0.74
DPND-PHENYLALANINEA,B,I1TQ70.74
DPND-PHENYLALANINEA1W7M0.74
DPND-PHENYLALANINEP1HAP0.74
DPND-PHENYLALANINEA,B1ORF0.74
DPND-PHENYLALANINEI1IHS0.74
DPND-PHENYLALANINEP1MCC0.74
DPND-PHENYLALANINEA2RMD0.74
DPND-PHENYLALANINEA2JQB0.74
DPND-PHENYLALANINEI2HPQ0.74
DPND-PHENYLALANINEC,E,F1SHH0.74
DPND-PHENYLALANINEA,I1CVR0.74
DPND-PHENYLALANINEL,P1AUT0.74
DPND-PHENYLALANINEP1MCI0.74
DPND-PHENYLALANINEH,I3F6U0.74
DPND-PHENYLALANINEA1BFW0.74
DPND-PHENYLALANINEH,I1HAI0.74
DPND-PHENYLALANINEB,C2THF0.74
DPND-PHENYLALANINEI1IHT0.74
DPND-PHENYLALANINEA,P1MCJ0.74
DPND-PHENYLALANINEA1TKH0.74
DPND-PHENYLALANINEC,H,L,T2FIR0.74
DPND-PHENYLALANINEA2FMZ0.74
DPND-PHENYLALANINEA1YL90.74
DPND-PHENYLALANINEI1HUT0.74
DPND-PHENYLALANINEI1FXY0.74
DPND-PHENYLALANINEA1YL80.74
DPND-PHENYLALANINEC,H,L1QFK0.74
DPND-PHENYLALANINEP1MCB0.74
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.71
PG9D-PHENYLGLYCINEA,B,G,H10GS0.75
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.75
FEXA1OSH0.7
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.7
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.71
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.83
AZY3-AZIDO-L-TYROSINEA2YXN0.71
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.74
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.75
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.75
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.75
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.75
CBLCHLORAMBUCILA,B3CSJ0.73
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.79
PPNPARA-NITROPHENYLALANINEI1YTJ0.78
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.75
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.75
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.75
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.75
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.75
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.75
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.75
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.75
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.83
KYNKYNURENINEA,B,C,D2R2N0.78
KYNKYNURENINEA,B3E2Z0.78
KYNKYNURENINEA1XT70.78
KYNKYNURENINEA1T5M0.78
KYNKYNURENINEA1T5N0.78
KYNKYNURENINEA2VOV0.78
KYNKYNURENINEA2VOX0.78
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.72
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.79
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.79
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.73
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.7
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.7
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.7
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.7
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.7
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.83
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.83
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.72
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.72
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.72
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.72
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.72
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.72
BFLA,B1Q4G0.72
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.7
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.72
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.72
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.72
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.72
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.79
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.7
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.7
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.7
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.71
APD3-METHYLPHENYLALANINEA,B,C1GMY0.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
AO2N'-(2S,3R)-3-AMINO-4-CYCLOHEXYL-
2-HYDROXY-BUTANO-N-(4-METHYLPHENYL)HYDRAZIDE
A1R5H0.74
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.71
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.71
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.71
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.71
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.71
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid
A3EB10.74
HABA,B1SRE0.71
IBRA9EST0.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.74
L98(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
3-SULFANYLPROPANOIC ACID
A,B,C1ZG80.71
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.71
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.71
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.9
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.73
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.71
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.75
BE22-AMINOBENZOIC ACIDE,I1ZFP0.75
BE22-AMINOBENZOIC ACIDA,B2HU80.75
BE22-AMINOBENZOIC ACIDA,B1AN90.75
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.75
BE22-AMINOBENZOIC ACIDA,B2YR60.75
BE22-AMINOBENZOIC ACIDA,I1E8N0.75
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.75
BE22-AMINOBENZOIC ACIDA1C0I0.75
BE22-AMINOBENZOIC ACIDA,B2JB30.75
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.75
PHIIODO-PHENYLALANINEA1TF90.72
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.72
PHIIODO-PHENYLALANINEA1T6H0.72
PHIIODO-PHENYLALANINEA,B,C1NLU0.72
PHIIODO-PHENYLALANINEA,I1GA10.72
PHIIODO-PHENYLALANINEA,I1GA40.72
PHIIODO-PHENYLALANINEP1CZI0.72
PAB4-AMINOBENZOIC ACIDA1PBD0.77
PAB4-AMINOBENZOIC ACIDB2DZA0.77
PAB4-AMINOBENZOIC ACIDA1IUS0.77
PAB4-AMINOBENZOIC ACIDA1IUU0.77
PAB4-AMINOBENZOIC ACIDA1IUT0.77
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.77
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.77
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.77
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.77
606(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID
A,B,C2PIZ0.7
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.75