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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02687327

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
S2DN-BENZOYL-D-ALANINEA,B2JCI0.71
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.74
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
A3D9C0.76
0A9methyl L-phenylalaninateA1AY20.75
0A9methyl L-phenylalaninateI5ER10.75
0A9methyl L-phenylalaninateI,P1HDT0.75
HPHPHENYLALANINDIOLI1E5O0.72
HPHPHENYLALANINDIOLA,B1ODX0.72
HPHPHENYLALANINDIOLA,B1MTB0.72
HPHPHENYLALANINDIOLA,B2FGV0.72
HPHPHENYLALANINDIOLA1ODW0.72
HPHPHENYLALANINDIOLA,B2FGU0.72
HPHPHENYLALANINDIOLA,B1HXB0.72
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.76
PBN4-PHENYLBUTYLAMINEA1UTP0.76
4PH4-methyl-L-phenylalanineB,C3BV90.7
PRA3-PHENYLPROPYLAMINEA1TNK0.76
PRA3-PHENYLPROPYLAMINEM1UTL0.76
AZL1-ETHOXYCARBONYL-D-PHE-PRO-2(4-
AMINOBUTYL)HYDRAZINE
H,I1AE80.72
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
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.72
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.7
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.86
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.75
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.75
PEA2-PHENYLETHYLAMINEA1TNJ0.75
PEA2-PHENYLETHYLAMINED,H2HKM0.75
PEA2-PHENYLETHYLAMINEA1UTO0.75
PEA2-PHENYLETHYLAMINEA,B1D6Y0.75
PEA2-PHENYLETHYLAMINEA,B1D6Z0.75
PEA2-PHENYLETHYLAMINEA,B1D6U0.75
PEA2-PHENYLETHYLAMINEA1UTM0.75
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.72
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.71
PMEN-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-
METHYL ESTER
H,L1A8J0.71
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.71
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.72
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.73
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.72
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.72
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.71
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.74
RRT(R)-RETRO-THIORPHANE1Z9G0.75
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.73
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.73
DPKDEPRENYLA,B2BYB0.76
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.79
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.79
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.72
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.71
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.71
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.75
TTXTENTOXINB1KMH0.71
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.75
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.86
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.86
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.86
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.74
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.79
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.79
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H9H0.71
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2HAL0.71
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2A4O0.71
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H6M0.71
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2CXV0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.71
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.74
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.72
BNFN-BENZYLFORMAMIDEA,B1U3U0.8
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.76
SBDD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA3VSB0.72
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.79
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.79
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.79
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.79
UNH({1-[1-CARBAMOYL-PHENYL-METHYL)-
CARBAMOYL]-METHYL}-AMINOOXALYL)-
BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-
CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER
A,C2A4G0.71
APD3-METHYLPHENYLALANINEA,B,C1GMY0.7
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.73
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.72
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.72
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.72
NFAPHENYLALANINE AMIDEA2A4O0.72
NFAPHENYLALANINE AMIDEA,B1XAE0.72
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.72
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.72
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.72
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.7
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.86
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.71
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.73
PHMPHENYLALANYLMETHANEA,I1PJP0.73
PHMPHENYLALANYLMETHANEA,B,C2J9J0.73
PHMPHENYLALANYLMETHANEA,B,C2JE40.73
271N-methyl-1-phenylmethanamineX2RBT0.75
CPUA,B1CR60.83
CT21-(PHENYLMETHYL)CYCLOPENTYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUZ0.78
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.72
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.71
DPND-PHENYLALANINEP1MCS0.71
DPND-PHENYLALANINEA1GOE0.71
DPND-PHENYLALANINEA2RM90.71
DPND-PHENYLALANINEA1SOC0.71
DPND-PHENYLALANINEB,C,E,F1SFQ0.71
DPND-PHENYLALANINEI1ABJ0.71
DPND-PHENYLALANINEP1DWE0.71
DPND-PHENYLALANINEI,M1HLT0.71
DPND-PHENYLALANINEA,H,L1J9C0.71
DPND-PHENYLALANINEI,T1TMB0.71
DPND-PHENYLALANINEA2JRY0.71
DPND-PHENYLALANINEA2SOC0.71
DPND-PHENYLALANINEA2YYF0.71
DPND-PHENYLALANINEI2HGT0.71
DPND-PHENYLALANINEA,D2Q3I0.71
DPND-PHENYLALANINEA,P1MCD0.71
DPND-PHENYLALANINEP1HAO0.71
DPND-PHENYLALANINEA,B,I1Z8J0.71
DPND-PHENYLALANINEA,B,C2PGQ0.71
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.71
DPND-PHENYLALANINEP1NRR0.71
DPND-PHENYLALANINEI1PPB0.71
DPND-PHENYLALANINEC,D,G,H1NU70.71
DPND-PHENYLALANINEI2HPP0.71
DPND-PHENYLALANINEB,C2OD30.71
DPND-PHENYLALANINEA1B0Q0.71
DPND-PHENYLALANINEB,C,E,F1NU90.71
DPND-PHENYLALANINEA,B,I1Z8I0.71
DPND-PHENYLALANINEH,I,J1TMU0.71
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.71
DPND-PHENYLALANINEA1GO90.71
DPND-PHENYLALANINEB,C,E,F1A0H0.71
DPND-PHENYLALANINEP1MCF0.71
DPND-PHENYLALANINEA2RME0.71
DPND-PHENYLALANINEH,I1TMT0.71
DPND-PHENYLALANINEI1ABI0.71
DPND-PHENYLALANINER1NRQ0.71
DPND-PHENYLALANINEB,C,F,G2A1D0.71
DPND-PHENYLALANINEA,B2Q330.71
DPND-PHENYLALANINEC,H,L1DAN0.71
DPND-PHENYLALANINEP1MCE0.71
DPND-PHENYLALANINEB,C,E,F2A450.71
DPND-PHENYLALANINEA2RMI0.71
DPND-PHENYLALANINEA,B,I1TQ70.71
DPND-PHENYLALANINEA1W7M0.71
DPND-PHENYLALANINEP1HAP0.71
DPND-PHENYLALANINEA,B1ORF0.71
DPND-PHENYLALANINEI1IHS0.71
DPND-PHENYLALANINEP1MCC0.71
DPND-PHENYLALANINEA2RMD0.71
DPND-PHENYLALANINEA2JQB0.71
DPND-PHENYLALANINEI2HPQ0.71
DPND-PHENYLALANINEC,E,F1SHH0.71
DPND-PHENYLALANINEA,I1CVR0.71
DPND-PHENYLALANINEL,P1AUT0.71
DPND-PHENYLALANINEP1MCI0.71
DPND-PHENYLALANINEH,I3F6U0.71
DPND-PHENYLALANINEA1BFW0.71
DPND-PHENYLALANINEH,I1HAI0.71
DPND-PHENYLALANINEB,C2THF0.71
DPND-PHENYLALANINEI1IHT0.71
DPND-PHENYLALANINEA,P1MCJ0.71
DPND-PHENYLALANINEA1TKH0.71
DPND-PHENYLALANINEC,H,L,T2FIR0.71
DPND-PHENYLALANINEA2FMZ0.71
DPND-PHENYLALANINEA1YL90.71
DPND-PHENYLALANINEI1HUT0.71
DPND-PHENYLALANINEI1FXY0.71
DPND-PHENYLALANINEA1YL80.71
DPND-PHENYLALANINEC,H,L1QFK0.71
DPND-PHENYLALANINEP1MCB0.71
ZFB(3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-
2-OXO-4-PHENYLBUTANE-1-DIAZONIUM
A,B,C,D1PVJ0.71
PHLL-PHENYLALANINOLA,B1JOH0.72
PHLL-PHENYLALANINOLI3APR0.72
PHLL-PHENYLALANINOLA1DLZ0.72
PHLL-PHENYLALANINOLA1IH90.72
PHLL-PHENYLALANINOLA1OB40.72
PHLL-PHENYLALANINOLI2ER60.72
PHLL-PHENYLALANINOLA1R9U0.72
PHLL-PHENYLALANINOLA1OB70.72
PHLL-PHENYLALANINOLA,B1OB60.72
PHLL-PHENYLALANINOLA,B,C1AMT0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.71
D7G((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-
2,3-DIOXOPROPYL)AMINO)CARBONYL)-
3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-
3-OXAPENTYL ESTER
A2G8J0.74
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.74
959benzyl (2-oxopropyl)carbamateA3D620.73
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
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.7
SBLL-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA1AV70.72
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.73
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.7
GAN2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-
2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-
YL]-1-OXOPROPYL-VALINYL-VALINE-
METHYLESTER
A1HBV0.74
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.72
PHAPHENYLALANINALA,B1OB20.72
PHAPHENYLALANINALV,Y,Z2WDG0.72
PHAPHENYLALANINALV,Y,Z2WDK0.72
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.72
PHAPHENYLALANINALP3SGA0.72
PHAPHENYLALANINALA,B,C,D,E,F1OB50.72
PHAPHENYLALANINALV,Y,Z2WDM0.72
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.72
PHAPHENYLALANINALA,B1KDV0.72
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.72
PHAPHENYLALANINALA,B1KDY0.72
PHAPHENYLALANINALV,Y,Z3FIC0.72
PHAPHENYLALANINALV,Y,Z2WDH0.72
PHAPHENYLALANINALA,B1KE20.72
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.71
CT1(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUX0.79
MEAN-METHYLPHENYLALANINEA2PIL0.74
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.74
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.74
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.78
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.71
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.73
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.73
HPEHOMOPHENYLALANINEA,B1B1H0.71
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.74
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.77
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.8
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.8