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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00583182

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PHLL-PHENYLALANINOLA,B1JOH0.76
PHLL-PHENYLALANINOLI3APR0.76
PHLL-PHENYLALANINOLA1DLZ0.76
PHLL-PHENYLALANINOLA1IH90.76
PHLL-PHENYLALANINOLA1OB40.76
PHLL-PHENYLALANINOLI2ER60.76
PHLL-PHENYLALANINOLA1R9U0.76
PHLL-PHENYLALANINOLA1OB70.76
PHLL-PHENYLALANINOLA,B1OB60.76
PHLL-PHENYLALANINOLA,B,C1AMT0.76
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.71
PHAPHENYLALANINALA,B1OB20.8
PHAPHENYLALANINALV,Y,Z2WDG0.8
PHAPHENYLALANINALV,Y,Z2WDK0.8
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.8
PHAPHENYLALANINALP3SGA0.8
PHAPHENYLALANINALA,B,C,D,E,F1OB50.8
PHAPHENYLALANINALV,Y,Z2WDM0.8
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.8
PHAPHENYLALANINALA,B1KDV0.8
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.8
PHAPHENYLALANINALA,B1KDY0.8
PHAPHENYLALANINALV,Y,Z3FIC0.8
PHAPHENYLALANINALV,Y,Z2WDH0.8
PHAPHENYLALANINALA,B1KE20.8
BNFN-BENZYLFORMAMIDEA,B1U3U0.89
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.81
PBN4-PHENYLBUTYLAMINEA1UTP0.81
271N-methyl-1-phenylmethanamineX2RBT0.82
PRA3-PHENYLPROPYLAMINEA1TNK0.81
PRA3-PHENYLPROPYLAMINEM1UTL0.81
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.72
CPUA,B1CR60.85
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.76
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.77
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.7
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.73
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.73
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.79
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.79
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.8
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.73
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.73
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.75
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.78
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.72
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.72
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.71
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.76
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.86
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.86
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.86
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.86
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.7
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.96
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.75
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.88
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.88
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.75
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.75
DPKDEPRENYLA,B2BYB0.81
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.77
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.73
FBA4-FLUOROBENZYLAMINEA1TNH0.73
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.73
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.74
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.74
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.84
ABNBENZYLAMINED,H2HXC0.76
ABNBENZYLAMINEA,I1A860.76
ABNBENZYLAMINEA1UTN0.76
ABNBENZYLAMINEA1N6X0.76
ABNBENZYLAMINEA2BZA0.76
ABNBENZYLAMINEA2EUS0.76
ABNBENZYLAMINEA1N6Y0.76
ABNBENZYLAMINEA1UTJ0.76
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.76
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.76
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.77
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.74
PHMPHENYLALANYLMETHANEA,I1PJP0.79
PHMPHENYLALANYLMETHANEA,B,C2J9J0.79
PHMPHENYLALANYLMETHANEA,B,C2JE40.79
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.7
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.82
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.95
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.95
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.95
HPHPHENYLALANINDIOLI1E5O0.73
HPHPHENYLALANINDIOLA,B1ODX0.73
HPHPHENYLALANINDIOLA,B1MTB0.73
HPHPHENYLALANINDIOLA,B2FGV0.73
HPHPHENYLALANINDIOLA1ODW0.73
HPHPHENYLALANINDIOLA,B2FGU0.73
HPHPHENYLALANINDIOLA,B1HXB0.73
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.74
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.75
TTXTENTOXINB1KMH0.71
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.74
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.77
0A9methyl L-phenylalaninateA1AY20.72
0A9methyl L-phenylalaninateI5ER10.72
0A9methyl L-phenylalaninateI,P1HDT0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.75
CT1(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUX0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.74
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.73
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.72
RRT(R)-RETRO-THIORPHANE1Z9G0.74
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.72
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
A3D9C0.7
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.78
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.7
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.71
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.77
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.77
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.82
PEA2-PHENYLETHYLAMINEA1TNJ0.82
PEA2-PHENYLETHYLAMINED,H2HKM0.82
PEA2-PHENYLETHYLAMINEA1UTO0.82
PEA2-PHENYLETHYLAMINEA,B1D6Y0.82
PEA2-PHENYLETHYLAMINEA,B1D6Z0.82
PEA2-PHENYLETHYLAMINEA,B1D6U0.82
PEA2-PHENYLETHYLAMINEA1UTM0.82
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.74
CT21-(PHENYLMETHYL)CYCLOPENTYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUZ0.72
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.78
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.78
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.78
NFAPHENYLALANINE AMIDEA2A4O0.78
NFAPHENYLALANINE AMIDEA,B1XAE0.78
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.78
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.78
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.78
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.81
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.85
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.76
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.75
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.75
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.75
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.81
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.81
B2FPHENYLALANINE BORONIC ACIDA,P1P060.81
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.81
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.81
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.71
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.71
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.71
MEAN-METHYLPHENYLALANINEA2PIL0.73
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.73
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.73
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.71
2631-(azidomethyl)-3-methylbenzeneX2RB20.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.83
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.83
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.86
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.86
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.86
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.8
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.75
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.7
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.73
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.74
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.73
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.72
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.72
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.72