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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03034641

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
2631-(azidomethyl)-3-methylbenzeneX2RB20.75
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.71
MBNTOLUENEA,B3D7O0.7
MBNTOLUENEA,B1R1X0.7
MBNTOLUENEA,B1JLX0.7
MBNTOLUENEA,B,C,D3D170.7
MBNTOLUENEA,B2VRL0.7
MBNTOLUENEA,I2Z3E0.7
MBNTOLUENEA,B1YZI0.7
MBNTOLUENEA,B2DN10.7
MBNTOLUENEA,B3EN10.7
FPRPROPYLBENZENEC1RHK0.73
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.76
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.76
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.76
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.76
NFAPHENYLALANINE AMIDEA2A4O0.76
NFAPHENYLALANINE AMIDEA,B1XAE0.76
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.76
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.76
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.76
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.7
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.85
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.85
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.85
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.73
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.75
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.86
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.79
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
BZZBENZYLHYDRAZINEA,B2E2V0.74
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.76
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.79
ABNBENZYLAMINED,H2HXC0.81
ABNBENZYLAMINEA,I1A860.81
ABNBENZYLAMINEA1UTN0.81
ABNBENZYLAMINEA1N6X0.81
ABNBENZYLAMINEA2BZA0.81
ABNBENZYLAMINEA2EUS0.81
ABNBENZYLAMINEA1N6Y0.81
ABNBENZYLAMINEA1UTJ0.81
IDMINDOLINEA,B3CEP0.71
IDMINDOLINEA1AEK0.71
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.72
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.77
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.75
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.75
0A9methyl L-phenylalaninateA1AY20.7
0A9methyl L-phenylalaninateI5ER10.7
0A9methyl L-phenylalaninateI,P1HDT0.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.84
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.84
B2FPHENYLALANINE BORONIC ACIDA,P1P060.84
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.84
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.84
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.72
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.92
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.92
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.92
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.92
PHAPHENYLALANINALA,B1OB20.76
PHAPHENYLALANINALV,Y,Z2WDG0.76
PHAPHENYLALANINALV,Y,Z2WDK0.76
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.76
PHAPHENYLALANINALP3SGA0.76
PHAPHENYLALANINALA,B,C,D,E,F1OB50.76
PHAPHENYLALANINALV,Y,Z2WDM0.76
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.76
PHAPHENYLALANINALA,B1KDV0.76
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.76
PHAPHENYLALANINALA,B1KDY0.76
PHAPHENYLALANINALV,Y,Z3FIC0.76
PHAPHENYLALANINALV,Y,Z2WDH0.76
PHAPHENYLALANINALA,B1KE20.76
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.71
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.77
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.73
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.72
PHMPHENYLALANYLMETHANEA,I1PJP0.79
PHMPHENYLALANYLMETHANEA,B,C2J9J0.79
PHMPHENYLALANYLMETHANEA,B,C2JE40.79
HPHPHENYLALANINDIOLI1E5O0.73
HPHPHENYLALANINDIOLA,B1ODX0.73
HPHPHENYLALANINDIOLA,B1MTB0.73
HPHPHENYLALANINDIOLA,B2FGV0.73
HPHPHENYLALANINDIOLA1ODW0.73
HPHPHENYLALANINDIOLA,B2FGU0.73
HPHPHENYLALANINDIOLA,B1HXB0.73
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.77
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.75
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.85
271N-methyl-1-phenylmethanamineX2RBT0.87
PRY2-PROPYL-ANILINEA1OWY0.74
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.72
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.81
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.81
PRA3-PHENYLPROPYLAMINEA1TNK0.86
PRA3-PHENYLPROPYLAMINEM1UTL0.86
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.76
PBN4-PHENYLBUTYLAMINEA1TNI0.86
PBN4-PHENYLBUTYLAMINEA1UTP0.86
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.71
PXYPARA-XYLENEA187L0.71
PXYPARA-XYLENEA225L0.71
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.84
PYLPHENYLETHANEC1B070.73
PYLPHENYLETHANEA,B2VRM0.73
PYLPHENYLETHANEA1NHB0.73
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.78
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.78
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.71
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.71
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.7
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.7
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.7
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.7
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.7
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.7
CPUA,B1CR60.8
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.92
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.92
I4BISOBUTYLBENZENEA184L0.71
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.85
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.79
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.79
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.77
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.81
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.81
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.81
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.81
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.81
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.76
N4BN-BUTYLBENZENEA186L0.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.79
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.88
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.88
MEAN-METHYLPHENYLALANINEA2PIL0.73
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.73
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.76
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.77
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.77
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.77
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.73
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.7
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.76
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.75
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.7
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
DPKDEPRENYLA,B2BYB0.86
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.78
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.78
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.85
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.7
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.71
34A3,4-DIMETHYLANILINEA1L4K0.71
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.8
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.88
PEA2-PHENYLETHYLAMINEA1TNJ0.88
PEA2-PHENYLETHYLAMINED,H2HKM0.88
PEA2-PHENYLETHYLAMINEA1UTO0.88
PEA2-PHENYLETHYLAMINEA,B1D6Y0.88
PEA2-PHENYLETHYLAMINEA,B1D6Z0.88
PEA2-PHENYLETHYLAMINEA,B1D6U0.88
PEA2-PHENYLETHYLAMINEA1UTM0.88
BNFN-BENZYLFORMAMIDEA,B1U3U0.79
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.71
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.82
FBA4-FLUOROBENZYLAMINEA1TNH0.82