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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00049784

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.74
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.82
MEAN-METHYLPHENYLALANINEA2PIL0.71
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.71
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.9
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.9
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.74
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.83
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.7
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.78
412(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE
A1ZML0.7
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.8
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.8
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.8
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.79
DP4TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-
N-OXIDE
A,B,C,D,E,F,
G,H
1ND00.71
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.74
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.71
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.76
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.76
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.76
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.76
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.71
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.79
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.79
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.79
MBNTOLUENEA,B3D7O0.75
MBNTOLUENEA,B1R1X0.75
MBNTOLUENEA,B1JLX0.75
MBNTOLUENEA,B,C,D3D170.75
MBNTOLUENEA,B2VRL0.75
MBNTOLUENEA,I2Z3E0.75
MBNTOLUENEA,B1YZI0.75
MBNTOLUENEA,B2DN10.75
MBNTOLUENEA,B3EN10.75
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.74
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.84
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.74
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.91
PEA2-PHENYLETHYLAMINEA1TNJ0.91
PEA2-PHENYLETHYLAMINED,H2HKM0.91
PEA2-PHENYLETHYLAMINEA1UTO0.91
PEA2-PHENYLETHYLAMINEA,B1D6Y0.91
PEA2-PHENYLETHYLAMINEA,B1D6Z0.91
PEA2-PHENYLETHYLAMINEA,B1D6U0.91
PEA2-PHENYLETHYLAMINEA1UTM0.91
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.78
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.78
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.78
2631-(azidomethyl)-3-methylbenzeneX2RB20.78
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.7
FPRPROPYLBENZENEC1RHK0.78
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.76
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.76
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.79
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.77
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.82
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.71
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.72
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.73
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.89
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.89
PRY2-PROPYL-ANILINEA1OWY0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.74
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.75
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.78
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.8
PXYPARA-XYLENEA187L0.76
PXYPARA-XYLENEA225L0.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.79
CPUA,B1CR60.8
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.83
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.83
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.83
I4BISOBUTYLBENZENEA184L0.76
PHAPHENYLALANINALA,B1OB20.74
PHAPHENYLALANINALV,Y,Z2WDG0.74
PHAPHENYLALANINALV,Y,Z2WDK0.74
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.74
PHAPHENYLALANINALP3SGA0.74
PHAPHENYLALANINALA,B,C,D,E,F1OB50.74
PHAPHENYLALANINALV,Y,Z2WDM0.74
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.74
PHAPHENYLALANINALA,B1KDV0.74
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.74
PHAPHENYLALANINALA,B1KDY0.74
PHAPHENYLALANINALV,Y,Z3FIC0.74
PHAPHENYLALANINALV,Y,Z2WDH0.74
PHAPHENYLALANINALA,B1KE20.74
ABNBENZYLAMINED,H2HXC0.84
ABNBENZYLAMINEA,I1A860.84
ABNBENZYLAMINEA1UTN0.84
ABNBENZYLAMINEA1N6X0.84
ABNBENZYLAMINEA2BZA0.84
ABNBENZYLAMINEA2EUS0.84
ABNBENZYLAMINEA1N6Y0.84
ABNBENZYLAMINEA1UTJ0.84
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.71
DPKDEPRENYLA,B2BYB0.84
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.86
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.73
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.88
HPHPHENYLALANINDIOLI1E5O0.71
HPHPHENYLALANINDIOLA,B1ODX0.71
HPHPHENYLALANINDIOLA,B1MTB0.71
HPHPHENYLALANINDIOLA,B2FGV0.71
HPHPHENYLALANINDIOLA1ODW0.71
HPHPHENYLALANINDIOLA,B2FGU0.71
HPHPHENYLALANINDIOLA,B1HXB0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.88
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.88
B2FPHENYLALANINE BORONIC ACIDA,P1P060.88
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.88
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.88
BZZBENZYLHYDRAZINEA,B2E2V0.76
BNFN-BENZYLFORMAMIDEA,B1U3U0.81
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.74
271N-methyl-1-phenylmethanamineX2RBT0.91
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.75
OXEORTHO-XYLENEA,B3E0X0.76
OXEORTHO-XYLENEA188L0.76
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.8
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.8
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.8
FBA4-FLUOROBENZYLAMINEA1TNH0.8
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.79
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.74
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.74
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.74
NFAPHENYLALANINE AMIDEA2A4O0.74
NFAPHENYLALANINE AMIDEA,B1XAE0.74
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.74
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.74
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.74
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.73
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
PYLPHENYLETHANEC1B070.78
PYLPHENYLETHANEA,B2VRM0.78
PYLPHENYLETHANEA1NHB0.78
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.73
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.73
DENINDENEA183L0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.9
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.9
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.9
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.9
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.82
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.74
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.76
2HT3-methylbenzonitrileA,B3F880.71
N4BN-BUTYLBENZENEA186L0.78
34A3,4-DIMETHYLANILINEA1L4K0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.74
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.74
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.74
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.74
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.73
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.93
PBN4-PHENYLBUTYLAMINEA1UTP0.93
PRA3-PHENYLPROPYLAMINEA1TNK0.93
PRA3-PHENYLPROPYLAMINEM1UTL0.93
PHMPHENYLALANYLMETHANEA,I1PJP0.77
PHMPHENYLALANYLMETHANEA,B,C2J9J0.77
PHMPHENYLALANYLMETHANEA,B,C2JE40.77
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.72
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.72
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.73
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.73
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.82
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.82
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.71
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72
PHLL-PHENYLALANINOLA,B1JOH0.74
PHLL-PHENYLALANINOLI3APR0.74
PHLL-PHENYLALANINOLA1DLZ0.74
PHLL-PHENYLALANINOLA1IH90.74
PHLL-PHENYLALANINOLA1OB40.74
PHLL-PHENYLALANINOLI2ER60.74
PHLL-PHENYLALANINOLA1R9U0.74
PHLL-PHENYLALANINOLA1OB70.74
PHLL-PHENYLALANINOLA,B1OB60.74
PHLL-PHENYLALANINOLA,B,C1AMT0.74