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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02360474

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOF0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2HPT0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1TXR0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1XRY0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2EK90.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1HS60.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2DQM0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A3EBH0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1GW60.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOG0.73
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.75
173BENZOYL-FORMIC ACIDA,B1SZE0.75
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.76
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.76
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.76
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.76
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.76
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.76
5PV5-PHENYLVALERIC ACIDA,B2AY90.7
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
BNNACETYL-P-AMIDINOPHENYLALANINE2,3,48KME0.7
BNNACETYL-P-AMIDINOPHENYLALANINEH,I,J7KME0.7
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid
A3EB10.71
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.73
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.73
0A9methyl L-phenylalaninateA1AY20.74
0A9methyl L-phenylalaninateI5ER10.74
0A9methyl L-phenylalaninateI,P1HDT0.74
4PH4-methyl-L-phenylalanineB,C3BV90.77
DPND-PHENYLALANINEP1MCS0.78
DPND-PHENYLALANINEA1GOE0.78
DPND-PHENYLALANINEA2RM90.78
DPND-PHENYLALANINEA1SOC0.78
DPND-PHENYLALANINEB,C,E,F1SFQ0.78
DPND-PHENYLALANINEI1ABJ0.78
DPND-PHENYLALANINEP1DWE0.78
DPND-PHENYLALANINEI,M1HLT0.78
DPND-PHENYLALANINEA,H,L1J9C0.78
DPND-PHENYLALANINEI,T1TMB0.78
DPND-PHENYLALANINEA2JRY0.78
DPND-PHENYLALANINEA2SOC0.78
DPND-PHENYLALANINEA2YYF0.78
DPND-PHENYLALANINEI2HGT0.78
DPND-PHENYLALANINEA,D2Q3I0.78
DPND-PHENYLALANINEA,P1MCD0.78
DPND-PHENYLALANINEP1HAO0.78
DPND-PHENYLALANINEA,B,I1Z8J0.78
DPND-PHENYLALANINEA,B,C2PGQ0.78
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.78
DPND-PHENYLALANINEP1NRR0.78
DPND-PHENYLALANINEI1PPB0.78
DPND-PHENYLALANINEC,D,G,H1NU70.78
DPND-PHENYLALANINEI2HPP0.78
DPND-PHENYLALANINEB,C2OD30.78
DPND-PHENYLALANINEA1B0Q0.78
DPND-PHENYLALANINEB,C,E,F1NU90.78
DPND-PHENYLALANINEA,B,I1Z8I0.78
DPND-PHENYLALANINEH,I,J1TMU0.78
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.78
DPND-PHENYLALANINEA1GO90.78
DPND-PHENYLALANINEB,C,E,F1A0H0.78
DPND-PHENYLALANINEP1MCF0.78
DPND-PHENYLALANINEA2RME0.78
DPND-PHENYLALANINEH,I1TMT0.78
DPND-PHENYLALANINEI1ABI0.78
DPND-PHENYLALANINER1NRQ0.78
DPND-PHENYLALANINEB,C,F,G2A1D0.78
DPND-PHENYLALANINEA,B2Q330.78
DPND-PHENYLALANINEC,H,L1DAN0.78
DPND-PHENYLALANINEP1MCE0.78
DPND-PHENYLALANINEB,C,E,F2A450.78
DPND-PHENYLALANINEA2RMI0.78
DPND-PHENYLALANINEA,B,I1TQ70.78
DPND-PHENYLALANINEA1W7M0.78
DPND-PHENYLALANINEP1HAP0.78
DPND-PHENYLALANINEA,B1ORF0.78
DPND-PHENYLALANINEI1IHS0.78
DPND-PHENYLALANINEP1MCC0.78
DPND-PHENYLALANINEA2RMD0.78
DPND-PHENYLALANINEA2JQB0.78
DPND-PHENYLALANINEI2HPQ0.78
DPND-PHENYLALANINEC,E,F1SHH0.78
DPND-PHENYLALANINEA,I1CVR0.78
DPND-PHENYLALANINEL,P1AUT0.78
DPND-PHENYLALANINEP1MCI0.78
DPND-PHENYLALANINEH,I3F6U0.78
DPND-PHENYLALANINEA1BFW0.78
DPND-PHENYLALANINEH,I1HAI0.78
DPND-PHENYLALANINEB,C2THF0.78
DPND-PHENYLALANINEI1IHT0.78
DPND-PHENYLALANINEA,P1MCJ0.78
DPND-PHENYLALANINEA1TKH0.78
DPND-PHENYLALANINEC,H,L,T2FIR0.78
DPND-PHENYLALANINEA2FMZ0.78
DPND-PHENYLALANINEA1YL90.78
DPND-PHENYLALANINEI1HUT0.78
DPND-PHENYLALANINEI1FXY0.78
DPND-PHENYLALANINEA1YL80.78
DPND-PHENYLALANINEC,H,L1QFK0.78
DPND-PHENYLALANINEP1MCB0.78
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.77
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.77
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.76
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.75
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
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
A,B2FV90.71
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.73
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.73
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.73
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.73
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.73
HPIN-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-
ALPHA-ASPARAGINE
A1U4G0.74
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.85
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.74
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.74
BZSL-BENZYLSUCCINIC ACIDA1CBX0.71
BZSL-BENZYLSUCCINIC ACIDA1HYT0.71
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.71
PHIIODO-PHENYLALANINEA1TF90.76
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.76
PHIIODO-PHENYLALANINEA1T6H0.76
PHIIODO-PHENYLALANINEA,B,C1NLU0.76
PHIIODO-PHENYLALANINEA,I1GA10.76
PHIIODO-PHENYLALANINEA,I1GA40.76
PHIIODO-PHENYLALANINEP1CZI0.76
CLT4-PHENYL-BUTANOIC ACIDA1THL0.72
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.72
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.81
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.81
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.81
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.81
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.75
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.72
4BF4-BROMO-L-PHENYLALANINEA2AG60.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.75
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.72
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.72
MEAN-METHYLPHENYLALANINEA2PIL0.83
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.83
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.83
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.71
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.71
PG9D-PHENYLGLYCINEA,B,G,H10GS0.76
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.76
TRZTRAZEOLIDEA1C120.72
KYNKYNURENINEA,B,C,D2R2N0.78
KYNKYNURENINEA,B3E2Z0.78
KYNKYNURENINEA1XT70.78
KYNKYNURENINEA1T5M0.78
KYNKYNURENINEA1T5N0.78
KYNKYNURENINEA2VOV0.78
KYNKYNURENINEA2VOX0.78
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.75
SBX1-CYCLOHEXYL-3-PHENYL-1-PROPYL-
1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-
2-PIPERIDINE CARBOXYLATE
A1FKH0.7
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.73
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
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.83
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.71
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.8
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.74
HPEHOMOPHENYLALANINEA,B1B1H0.8
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.74
FRFPHE-REDUCED-PHEA,I1GVX0.76
APD3-METHYLPHENYLALANINEA,B,C1GMY0.77
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J
2BYS0.75
PHTPHTHALIC ACIDA,B,C2B7P0.7
PHTPHTHALIC ACIDA3C2V0.7
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.7
PHTPHTHALIC ACIDA,B3C2R0.7
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.73
IOYP-IODO-D-PHENYLALANINEA1XBU0.76
S2DN-BENZOYL-D-ALANINEA,B2JCI0.77
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.71
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.72
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.75
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.8
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
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.7
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.7
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.7
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
A3D9C0.73
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.74
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.75
HU2(2S)-({N-[(3S)-3-({N-[(2S,4E)-2-
ISOPROPYL-7-METHYLOCT-4-ENOYL]-
L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID
A,C2OC10.71
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine
A3BKK0.74
4MA4-METHYLBENZOIC ACIDA,H2HRG0.72
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A,B1J360.73
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A,B2C6N0.73
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A1O860.73
PMEN-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-
METHYL ESTER
H,L1A8J0.75
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71
EAL1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-
L-PROLINE
A1UZE0.74
OSB2-SUCCINYLBENZOATEA1FHV0.74
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.74
OSB2-SUCCINYLBENZOATEA,B2QVH0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.72