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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02304544

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
S2DN-BENZOYL-D-ALANINEA,B2JCI0.76
KYNKYNURENINEA,B,C,D2R2N0.71
KYNKYNURENINEA,B3E2Z0.71
KYNKYNURENINEA1XT70.71
KYNKYNURENINEA1T5M0.71
KYNKYNURENINEA1T5N0.71
KYNKYNURENINEA2VOV0.71
KYNKYNURENINEA2VOX0.71
4PH4-methyl-L-phenylalanineB,C3BV90.78
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.71
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.71
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.71
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.71
DPND-PHENYLALANINEP1MCS0.77
DPND-PHENYLALANINEA1GOE0.77
DPND-PHENYLALANINEA2RM90.77
DPND-PHENYLALANINEA1SOC0.77
DPND-PHENYLALANINEB,C,E,F1SFQ0.77
DPND-PHENYLALANINEI1ABJ0.77
DPND-PHENYLALANINEP1DWE0.77
DPND-PHENYLALANINEI,M1HLT0.77
DPND-PHENYLALANINEA,H,L1J9C0.77
DPND-PHENYLALANINEI,T1TMB0.77
DPND-PHENYLALANINEA2JRY0.77
DPND-PHENYLALANINEA2SOC0.77
DPND-PHENYLALANINEA2YYF0.77
DPND-PHENYLALANINEI2HGT0.77
DPND-PHENYLALANINEA,D2Q3I0.77
DPND-PHENYLALANINEA,P1MCD0.77
DPND-PHENYLALANINEP1HAO0.77
DPND-PHENYLALANINEA,B,I1Z8J0.77
DPND-PHENYLALANINEA,B,C2PGQ0.77
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.77
DPND-PHENYLALANINEP1NRR0.77
DPND-PHENYLALANINEI1PPB0.77
DPND-PHENYLALANINEC,D,G,H1NU70.77
DPND-PHENYLALANINEI2HPP0.77
DPND-PHENYLALANINEB,C2OD30.77
DPND-PHENYLALANINEA1B0Q0.77
DPND-PHENYLALANINEB,C,E,F1NU90.77
DPND-PHENYLALANINEA,B,I1Z8I0.77
DPND-PHENYLALANINEH,I,J1TMU0.77
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.77
DPND-PHENYLALANINEA1GO90.77
DPND-PHENYLALANINEB,C,E,F1A0H0.77
DPND-PHENYLALANINEP1MCF0.77
DPND-PHENYLALANINEA2RME0.77
DPND-PHENYLALANINEH,I1TMT0.77
DPND-PHENYLALANINEI1ABI0.77
DPND-PHENYLALANINER1NRQ0.77
DPND-PHENYLALANINEB,C,F,G2A1D0.77
DPND-PHENYLALANINEA,B2Q330.77
DPND-PHENYLALANINEC,H,L1DAN0.77
DPND-PHENYLALANINEP1MCE0.77
DPND-PHENYLALANINEB,C,E,F2A450.77
DPND-PHENYLALANINEA2RMI0.77
DPND-PHENYLALANINEA,B,I1TQ70.77
DPND-PHENYLALANINEA1W7M0.77
DPND-PHENYLALANINEP1HAP0.77
DPND-PHENYLALANINEA,B1ORF0.77
DPND-PHENYLALANINEI1IHS0.77
DPND-PHENYLALANINEP1MCC0.77
DPND-PHENYLALANINEA2RMD0.77
DPND-PHENYLALANINEA2JQB0.77
DPND-PHENYLALANINEI2HPQ0.77
DPND-PHENYLALANINEC,E,F1SHH0.77
DPND-PHENYLALANINEA,I1CVR0.77
DPND-PHENYLALANINEL,P1AUT0.77
DPND-PHENYLALANINEP1MCI0.77
DPND-PHENYLALANINEH,I3F6U0.77
DPND-PHENYLALANINEA1BFW0.77
DPND-PHENYLALANINEH,I1HAI0.77
DPND-PHENYLALANINEB,C2THF0.77
DPND-PHENYLALANINEI1IHT0.77
DPND-PHENYLALANINEA,P1MCJ0.77
DPND-PHENYLALANINEA1TKH0.77
DPND-PHENYLALANINEC,H,L,T2FIR0.77
DPND-PHENYLALANINEA2FMZ0.77
DPND-PHENYLALANINEA1YL90.77
DPND-PHENYLALANINEI1HUT0.77
DPND-PHENYLALANINEI1FXY0.77
DPND-PHENYLALANINEA1YL80.77
DPND-PHENYLALANINEC,H,L1QFK0.77
DPND-PHENYLALANINEP1MCB0.77
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine
A3BKK0.76
BNNACETYL-P-AMIDINOPHENYLALANINE2,3,48KME0.72
BNNACETYL-P-AMIDINOPHENYLALANINEH,I,J7KME0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.83
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.83
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.83
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.83
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.72
FRFPHE-REDUCED-PHEA,I1GVX0.78
HPEHOMOPHENYLALANINEA,B1B1H0.75
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.74
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.74
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.75
PMEN-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-
METHYL ESTER
H,L1A8J0.71
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A,B1J360.71
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A,B2C6N0.71
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A1O860.71
MEAN-METHYLPHENYLALANINEA2PIL0.8
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.8
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.8
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.71
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.85
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.72
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.75
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.76
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.72
4BF4-BROMO-L-PHENYLALANINEA2AG60.71
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.7
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
H,L1D6V0.74
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
A,B,H,L1AXS0.74
PSI2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-
PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-
HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-
3-METHYL-BUTYRIC ACID METHYL ESTER
B1SIV0.7
PSI2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-
PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-
HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-
3-METHYL-BUTYRIC ACID METHYL ESTER
B1AAQ0.7
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.74
0A9methyl L-phenylalaninateA1AY20.72
0A9methyl L-phenylalaninateI5ER10.72
0A9methyl L-phenylalaninateI,P1HDT0.72
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.78
IOYP-IODO-D-PHENYLALANINEA1XBU0.75
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.78
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.78
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.79
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.75
PG9D-PHENYLGLYCINEA,B,G,H10GS0.74
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.74
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.71
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.75
EAL1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-
L-PROLINE
A1UZE0.7
PHIIODO-PHENYLALANINEA1TF90.75
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.75
PHIIODO-PHENYLALANINEA1T6H0.75
PHIIODO-PHENYLALANINEA,B,C1NLU0.75
PHIIODO-PHENYLALANINEA,I1GA10.75
PHIIODO-PHENYLALANINEA,I1GA40.75
PHIIODO-PHENYLALANINEP1CZI0.75
YC2N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-
L-glutamic acid
A3D7H0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.72
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.72
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.72
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.77
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.76
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.76
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.77
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.7
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.71
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.71
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.74
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.74
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.74
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.74
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.76
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.8
CBLCHLORAMBUCILA,B3CSJ0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.71
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.71
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.71
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.72
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.72
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.72
APD3-METHYLPHENYLALANINEA,B,C1GMY0.77
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.76
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.76
HPIN-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-
ALPHA-ASPARAGINE
A1U4G0.71
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.74
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
A,B2FV90.7
173BENZOYL-FORMIC ACIDA,B1SZE0.71
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.7
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.74
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
A3D9C0.75
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.73
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.71
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.71
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.71
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.74
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.7
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.79
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.75
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.75
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.75
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.75
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.75
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.75
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
1TY3-{(3E)-4-HYDROXY-6-OXO-3-[(2-PHENYLETHYL)IMINO]CYCLOHEXA-
1,4-DIEN-1-YL}ALANINE
A,B2CWU0.7
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.72
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.72
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.72
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.72
LGGN-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-
L-GLUTAMINYL-N-[(1S)-4-AMINO-1-
(2-CARBOXYETHYL)-4-OXOBUTYL]-L-
LEUCINAMIDE
A,B2IPH0.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.8
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.8
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.8
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.8
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.8
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.8