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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03372416

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.8
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.74
ANCANTHRACEN-1-YLAMINEA,B1GT10.7
ANCANTHRACEN-1-YLAMINEA,B1HN20.7
APD3-METHYLPHENYLALANINEA,B,C1GMY0.76
CBLCHLORAMBUCILA,B3CSJ0.77
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.84
34A3,4-DIMETHYLANILINEA1L4K0.74
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.73
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.7
IBRA9EST0.76
PPNPARA-NITROPHENYLALANINEI1YTJ0.81
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
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid
A3EB10.71
5PV5-PHENYLVALERIC ACIDA,B2AY90.72
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.72
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.76
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.76
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.78
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.78
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.78
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.78
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.7
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.73
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.72
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.72
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.72
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.84
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.84
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.73
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.72
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.76
BE22-AMINOBENZOIC ACIDE,I1ZFP0.76
BE22-AMINOBENZOIC ACIDA,B2HU80.76
BE22-AMINOBENZOIC ACIDA,B1AN90.76
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.76
BE22-AMINOBENZOIC ACIDA,B2YR60.76
BE22-AMINOBENZOIC ACIDA,I1E8N0.76
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.76
BE22-AMINOBENZOIC ACIDA1C0I0.76
BE22-AMINOBENZOIC ACIDA,B2JB30.76
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.76
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.71
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.72
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.93
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.7
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.7
IOYP-IODO-D-PHENYLALANINEA1XBU0.74
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.73
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.71
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.71
CLT4-PHENYL-BUTANOIC ACIDA1THL0.72
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.72
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.72
TY23-AMINO-L-TYROSINEA,B2VH30.73
L98(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
3-SULFANYLPROPANOIC ACID
A,B,C1ZG80.72
HABA,B1SRE0.7
INUN-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-
2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE
A7UPJ0.73
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.7
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.73
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.7
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.72
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.72
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.72
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.82
606(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID
A,B,C2PIZ0.71
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.73
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.73
PRY2-PROPYL-ANILINEA1OWY0.71
PG9D-PHENYLGLYCINEA,B,G,H10GS0.76
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.76
TNSA,B,L2G2R0.7
4PH4-methyl-L-phenylalanineB,C3BV90.76
KYNKYNURENINEA,B,C,D2R2N0.78
KYNKYNURENINEA,B3E2Z0.78
KYNKYNURENINEA1XT70.78
KYNKYNURENINEA1T5M0.78
KYNKYNURENINEA1T5N0.78
KYNKYNURENINEA2VOV0.78
KYNKYNURENINEA2VOX0.78
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.75
AO2N'-(2S,3R)-3-AMINO-4-CYCLOHEXYL-
2-HYDROXY-BUTANO-N-(4-METHYLPHENYL)HYDRAZIDE
A1R5H0.72
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.71
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.71
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.71
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.71
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE
A1AZ80.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.73
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.73
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.73
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.73
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.7
DFADIPHENYLACETIC ACIDA,B,C1GMY0.73
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.78
GAB3-AMINOBENZOIC ACIDA,B3GSB0.78
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.78
GAB3-AMINOBENZOIC ACIDA3FHB0.78
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.74
MEAN-METHYLPHENYLALANINEA2PIL0.72
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.72
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.72
FRFPHE-REDUCED-PHEA,I1GVX0.71
BFLA,B1Q4G0.72
3AB3-aminobenzamideA,B,C,D3GOY0.71
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
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
9AP9-AMINOPHENANTHRENEA1EGY0.71
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.74
SOAISATOIC ANHYDRIDEA1BIO0.72
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.71
HCIHYDROCINNAMIC ACIDA,B1BXG0.71
HCIHYDROCINNAMIC ACIDA,B1TOG0.71
HCIHYDROCINNAMIC ACIDA,B1V2F0.71
HCIHYDROCINNAMIC ACIDA,B1AHX0.71
HCIHYDROCINNAMIC ACIDA1TOI0.71
HCIHYDROCINNAMIC ACIDA,B1AY80.71
HCIHYDROCINNAMIC ACIDA1TOJ0.71
PAB4-AMINOBENZOIC ACIDA1PBD0.78
PAB4-AMINOBENZOIC ACIDB2DZA0.78
PAB4-AMINOBENZOIC ACIDA1IUS0.78
PAB4-AMINOBENZOIC ACIDA1IUU0.78
PAB4-AMINOBENZOIC ACIDA1IUT0.78
0A9methyl L-phenylalaninateA1AY20.71
0A9methyl L-phenylalaninateI5ER10.71
0A9methyl L-phenylalaninateI,P1HDT0.71
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.78
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.78
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.78
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.78
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.78
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.78
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.78
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.78
AZY3-AZIDO-L-TYROSINEA2YXN0.72
4NB4-NITROBENZOIC ACIDA,B3CHT0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.75
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.72
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.71
4BF4-BROMO-L-PHENYLALANINEA2AG60.7
FEXA1OSH0.71
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.73
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.73
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.73
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.73
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
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
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.82
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.76
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.7
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.7
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.79
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.79
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.79
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.79
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.73
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.76
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.72
HPEHOMOPHENYLALANINEA,B1B1H0.76
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.72
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.72