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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01530348

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TCQ3-((3E)-4-(HYDROXYMETHYL)-6-OXO-
3-{[(1S,2R)-2-PHENYLCYCLOPROPYL]IMINO}CYCLOHEXA-
1,4-DIEN-1-YL)ALANINE
A,B1W4N0.79
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.7
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.7
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.75
1TY3-{(3E)-4-HYDROXY-6-OXO-3-[(2-PHENYLETHYL)IMINO]CYCLOHEXA-
1,4-DIEN-1-YL}ALANINE
A,B2CWU0.83
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
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.74
APD3-METHYLPHENYLALANINEA,B,C1GMY0.76
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
0A9methyl L-phenylalaninateA1AY20.73
0A9methyl L-phenylalaninateI5ER10.73
0A9methyl L-phenylalaninateI,P1HDT0.73
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.7
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.72
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.77
HPEHOMOPHENYLALANINEA,B1B1H0.75
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.75
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.7
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.75
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.71
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
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
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.71
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.71
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.71
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.71
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.71
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.71
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.71
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.71
TTS3-((3E)-4-HYDROXY-3-{[2-(4-HYDROXYPHENYL)ETHYL]IMINO}-
6-OXOCYCLOHEXA-1,4-DIEN-1-YL)ALANINE
A,B2D1W0.74
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.71
TYTTYROSINE DERIVATIVEA,B1LVN0.83
IOYP-IODO-D-PHENYLALANINEA1XBU0.75
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.73
3TY3-[(3E)-3-(BENZYLHYDRAZONO)-4-HYDROXY-
6-OXOCYCLOHEXA-1,4-DIEN-1-YL]-L-
ALANINE
A1W5Z0.75
PG9D-PHENYLGLYCINEA,B,G,H10GS0.74
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.74
FRFPHE-REDUCED-PHEA,I1GVX0.73
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
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.73
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
A3D9C0.7
4PH4-methyl-L-phenylalanineB,C3BV90.76
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.7
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.7
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.7
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.72
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.72
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.72
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.72
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.72
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.7
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
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
4BF4-BROMO-L-PHENYLALANINEA2AG60.7
MEAN-METHYLPHENYLALANINEA2PIL0.75
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.75
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.75
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
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.73
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.73
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.73
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.73
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.77
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.77
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.77
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.77
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.7