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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02369136

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPEHOMOPHENYLALANINEA,B1B1H0.74
0A9methyl L-phenylalaninateA1AY20.75
0A9methyl L-phenylalaninateI5ER10.75
0A9methyl L-phenylalaninateI,P1HDT0.75
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.78
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.7
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.74
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.77
STF(5R)-2-SULFANYL-5-[4-(TRIFLUOROMETHYL)BENZYL]-
1,3-THIAZOL-4-ONE
A2EXG0.71
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.71
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.71
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.71
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.71
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.71
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.77
B2FPHENYLALANINE BORONIC ACIDA,P1P060.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.77
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.77
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.77
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.72
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.72
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.78
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.78
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.73
4PH4-methyl-L-phenylalanineB,C3BV90.75
PHAPHENYLALANINALA,B1OB20.81
PHAPHENYLALANINALV,Y,Z2WDG0.81
PHAPHENYLALANINALV,Y,Z2WDK0.81
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.81
PHAPHENYLALANINALP3SGA0.81
PHAPHENYLALANINALA,B,C,D,E,F1OB50.81
PHAPHENYLALANINALV,Y,Z2WDM0.81
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.81
PHAPHENYLALANINALA,B1KDV0.81
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.81
PHAPHENYLALANINALA,B1KDY0.81
PHAPHENYLALANINALV,Y,Z3FIC0.81
PHAPHENYLALANINALV,Y,Z2WDH0.81
PHAPHENYLALANINALA,B1KE20.81
1LPTRANYLCYPROMINEA,B1OJB0.8
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
OXEORTHO-XYLENEA,B3E0X0.7
OXEORTHO-XYLENEA188L0.7
PHIIODO-PHENYLALANINEA1TF90.71
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.71
PHIIODO-PHENYLALANINEA1T6H0.71
PHIIODO-PHENYLALANINEA,B,C1NLU0.71
PHIIODO-PHENYLALANINEA,I1GA10.71
PHIIODO-PHENYLALANINEA,I1GA40.71
PHIIODO-PHENYLALANINEP1CZI0.71
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.7
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
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.74
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.7
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.75
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.75
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.73
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
HY1PHENYLACETALDEHYDED,H2I0S0.78
HY1PHENYLACETALDEHYDEA,B1D6Y0.78
HY1PHENYLACETALDEHYDEA,B1D6Z0.78
HY1PHENYLACETALDEHYDED,H2OK40.78
HY1PHENYLACETALDEHYDEA,B1D6U0.78
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.77
PEA2-PHENYLETHYLAMINEA1TNJ0.77
PEA2-PHENYLETHYLAMINED,H2HKM0.77
PEA2-PHENYLETHYLAMINEA1UTO0.77
PEA2-PHENYLETHYLAMINEA,B1D6Y0.77
PEA2-PHENYLETHYLAMINEA,B1D6Z0.77
PEA2-PHENYLETHYLAMINEA,B1D6U0.77
PEA2-PHENYLETHYLAMINEA1UTM0.77
FPRPROPYLBENZENEC1RHK0.72
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.73
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.71
CLT4-PHENYL-BUTANOIC ACIDA1THL0.7
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.7
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.7
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.71
I4BISOBUTYLBENZENEA184L0.75
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.74
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.7
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
AC01-PHENYLETHANONEA1ZK10.76
AC01-PHENYLETHANONEA1ZK40.76
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.74
PRA3-PHENYLPROPYLAMINEA1TNK0.78
PRA3-PHENYLPROPYLAMINEM1UTL0.78
PBN4-PHENYLBUTYLAMINEA1TNI0.78
PBN4-PHENYLBUTYLAMINEA1UTP0.78
MEAN-METHYLPHENYLALANINEA2PIL0.7
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.7
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.7
3PL3-PHENYLPROPANALE1Y3G0.78
PHMPHENYLALANYLMETHANEA,I1PJP0.85
PHMPHENYLALANYLMETHANEA,B,C2J9J0.85
PHMPHENYLALANYLMETHANEA,B,C2JE40.85
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.76
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.76
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.73
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.71
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.72
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.86
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.86
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.86
NFAPHENYLALANINE AMIDEA2A4O0.86
NFAPHENYLALANINE AMIDEA,B1XAE0.86
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.86
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.86
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.86
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.76
3AB3-aminobenzamideA,B,C,D3GOY0.71
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.7
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.75
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.71
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.7
BZQDIPHENYLMETHANONEA,B1GT50.73
BZQDIPHENYLMETHANONEA,B1DZP0.73
IOYP-IODO-D-PHENYLALANINEA1XBU0.71
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.78
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.78
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.7
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.7
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.87
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.73
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.75
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.75
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
BHOBENZHYDROXAMIC ACIDA,B1GX20.76
BHOBENZHYDROXAMIC ACIDA1HSR0.76
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.76
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.76
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.76
BHOBENZHYDROXAMIC ACIDA3GCK0.76
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.76
N4BN-BUTYLBENZENEA186L0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
APD3-METHYLPHENYLALANINEA,B,C1GMY0.75
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.71
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.71
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.72
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.7
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.7
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.7
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.77
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.77