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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010326

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.77
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.77
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.77
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.77
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.77
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.77
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.77
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.74
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.96
PEA2-PHENYLETHYLAMINEA1TNJ0.96
PEA2-PHENYLETHYLAMINED,H2HKM0.96
PEA2-PHENYLETHYLAMINEA1UTO0.96
PEA2-PHENYLETHYLAMINEA,B1D6Y0.96
PEA2-PHENYLETHYLAMINEA,B1D6Z0.96
PEA2-PHENYLETHYLAMINEA,B1D6U0.96
PEA2-PHENYLETHYLAMINEA1UTM0.96
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.88
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.75
2HT3-methylbenzonitrileA,B3F880.74
CPUA,B1CR60.73
34A3,4-DIMETHYLANILINEA1L4K0.74
APD3-METHYLPHENYLALANINEA,B,C1GMY0.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.78
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.83
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.83
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.83
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.79
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.79
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.79
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.79
PHMPHENYLALANYLMETHANEA,I1PJP0.8
PHMPHENYLALANYLMETHANEA,B,C2J9J0.8
PHMPHENYLALANYLMETHANEA,B,C2JE40.8
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.72
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.72
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.7
2631-(azidomethyl)-3-methylbenzeneX2RB20.84
PRY2-PROPYL-ANILINEA1OWY0.77
PBN4-PHENYLBUTYLAMINEA1TNI0.94
PBN4-PHENYLBUTYLAMINEA1UTP0.94
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.77
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.77
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.77
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.77
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.77
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.77
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.77
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.7
PRA3-PHENYLPROPYLAMINEA1TNK0.94
PRA3-PHENYLPROPYLAMINEM1UTL0.94
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.72
ABNBENZYLAMINED,H2HXC0.87
ABNBENZYLAMINEA,I1A860.87
ABNBENZYLAMINEA1UTN0.87
ABNBENZYLAMINEA1N6X0.87
ABNBENZYLAMINEA2BZA0.87
ABNBENZYLAMINEA2EUS0.87
ABNBENZYLAMINEA1N6Y0.87
ABNBENZYLAMINEA1UTJ0.87
HPHPHENYLALANINDIOLI1E5O0.74
HPHPHENYLALANINDIOLA,B1ODX0.74
HPHPHENYLALANINDIOLA,B1MTB0.74
HPHPHENYLALANINDIOLA,B2FGV0.74
HPHPHENYLALANINDIOLA1ODW0.74
HPHPHENYLALANINDIOLA,B2FGU0.74
HPHPHENYLALANINDIOLA,B1HXB0.74
N4BN-BUTYLBENZENEA186L0.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.92
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.92
B2FPHENYLALANINE BORONIC ACIDA,P1P060.92
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.92
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.92
DPKDEPRENYLA,B2BYB0.81
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.93
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.93
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.74
BENBENZAMIDINEA2TIO0.73
BENBENZAMIDINEA1J150.73
BENBENZAMIDINEA,B3BEU0.73
BENBENZAMIDINET1V2U0.73
BENBENZAMIDINEA,B,C,D,E,F3CF80.73
BENBENZAMIDINEA1S0R0.73
BENBENZAMIDINEA,B1V160.73
BENBENZAMIDINEA1CC70.73
BENBENZAMIDINEA3BG80.73
BENBENZAMIDINEA1CC80.73
BENBENZAMIDINEA3PTB0.73
BENBENZAMIDINEA,B1TRM0.73
BENBENZAMIDINEA1ZHR0.73
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.73
BENBENZAMIDINEA2BLV0.73
BENBENZAMIDINEA,B,C,D,E,F2GLP0.73
BENBENZAMIDINEH,I3D490.73
BENBENZAMIDINEH,L,T2AER0.73
BENBENZAMIDINEA1J140.73
BENBENZAMIDINEA1NSA0.73
BENBENZAMIDINEA2AYW0.73
BENBENZAMIDINEA1BRA0.73
BENBENZAMIDINEA,B,C,D1A0J0.73
BENBENZAMIDINEB,C,D2AST0.73
BENBENZAMIDINEA,B2CKR0.73
BENBENZAMIDINEA1LPU0.73
BENBENZAMIDINEA1ZHM0.73
BENBENZAMIDINEA1J8A0.73
BENBENZAMIDINEA,B3BCX0.73
BENBENZAMIDINEA,B,C,D,E,F3CF90.73
BENBENZAMIDINEA,B,C,D,E,F3D040.73
BENBENZAMIDINEA,B,C,D,E,F2GLL0.73
BENBENZAMIDINEA1AND0.73
BENBENZAMIDINEA2TBS0.73
BENBENZAMIDINEA,B,C,D,E,F3DP20.73
BENBENZAMIDINET1V2M0.73
BENBENZAMIDINEA2EEK0.73
BENBENZAMIDINEH,I2ZI20.73
BENBENZAMIDINET1V2J0.73
BENBENZAMIDINEH1KLI0.73
BENBENZAMIDINEA1CE50.73
BENBENZAMIDINEA,B,C,D,E,F3B7J0.73
BENBENZAMIDINEB,Y2PKA0.73
BENBENZAMIDINEA2VJ00.73
BENBENZAMIDINEA3B3J0.73
BENBENZAMIDINEA,B,C,D,E,F3DOY0.73
BENBENZAMIDINEA,B,C,D,E,F3DP30.73
BENBENZAMIDINEA,B,C,D,E,F2GLM0.73
BENBENZAMIDINEA1ANB0.73
BENBENZAMIDINEA1LO60.73
BENBENZAMIDINEA1LR40.73
BENBENZAMIDINEA,B1V1M0.73
BENBENZAMIDINEA1ZHP0.73
BENBENZAMIDINEA2J9N0.73
BENBENZAMIDINEA2BMV0.73
BENBENZAMIDINEA,B2CKS0.73
BENBENZAMIDINEA2BLW0.73
BENBENZAMIDINEA1J160.73
BENBENZAMIDINEA,B1V110.73
BENBENZAMIDINEA,B,C,D,E,F3DP00.73
BENBENZAMIDINEB1RTF0.73
BENBENZAMIDINEA,B,C,D,E,F3DP10.73
BENBENZAMIDINEA,B,C,D2E580.73
BENBENZAMIDINEA2TRM0.73
BENBENZAMIDINET1V2V0.73
BENBENZAMIDINEA1MBQ0.73
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.73
BENBENZAMIDINEA2O8U0.73
BENBENZAMIDINEH1DWB0.73
BENBENZAMIDINEB,C2ASS0.73
BENBENZAMIDINEA1ANE0.73
BENBENZAMIDINEH,I2ZIQ0.73
BENBENZAMIDINEA1BIT0.73
BENBENZAMIDINEA2AIQ0.73
BENBENZAMIDINEA2OQ50.73
BENBENZAMIDINEA1ANC0.73
BENBENZAMIDINEH1JBU0.73
BENBENZAMIDINEA,B2BPQ0.73
BENBENZAMIDINEA,B,C,D2GNN0.73
BENBENZAMIDINET1V2S0.73
BENBENZAMIDINEA1H4W0.73
BENBENZAMIDINEA1OSS0.73
BENBENZAMIDINEA1W800.73
BENBENZAMIDINEA1BTY0.73
BENBENZAMIDINEH,I2ZFQ0.73
BENBENZAMIDINEA1EAX0.73
BENBENZAMIDINEA1L2E0.73
BENBENZAMIDINEA1WRI0.73
BENBENZAMIDINEA,B3BB80.73
BENBENZAMIDINEA2OXS0.73
BENBENZAMIDINEA1DPO0.73
BENBENZAMIDINET1V2L0.73
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.77
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.77
4PH4-methyl-L-phenylalanineB,C3BV90.73
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.86
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.76
DENINDENEA183L0.72
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.8
OXEORTHO-XYLENEA,B3E0X0.77
OXEORTHO-XYLENEA188L0.77
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.94
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.94
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.73
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.76
PYLPHENYLETHANEC1B070.79
PYLPHENYLETHANEA,B2VRM0.79
PYLPHENYLETHANEA1NHB0.79
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.74
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.74
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.84
FBA4-FLUOROBENZYLAMINEA1TNH0.84
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.78
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.94
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.94
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.94
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.94
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.7
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.73
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.73
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.8
MBNTOLUENEA,B3D7O0.76
MBNTOLUENEA,B1R1X0.76
MBNTOLUENEA,B1JLX0.76
MBNTOLUENEA,B,C,D3D170.76
MBNTOLUENEA,B2VRL0.76
MBNTOLUENEA,I2Z3E0.76
MBNTOLUENEA,B1YZI0.76
MBNTOLUENEA,B2DN10.76
MBNTOLUENEA,B3EN10.76
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.88
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.88
271N-methyl-1-phenylmethanamineX2RBT0.84
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.73
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.77
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.77
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.77
NFAPHENYLALANINE AMIDEA2A4O0.77
NFAPHENYLALANINE AMIDEA,B1XAE0.77
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.77
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.77
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.77
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.79
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.74
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.74
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.73
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.77
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.89
PXYPARA-XYLENEA187L0.79
PXYPARA-XYLENEA225L0.79
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.8
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.77
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.77
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.77
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.77
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.76
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.77
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.7
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.7
PHLL-PHENYLALANINOLA,B1JOH0.77
PHLL-PHENYLALANINOLI3APR0.77
PHLL-PHENYLALANINOLA1DLZ0.77
PHLL-PHENYLALANINOLA1IH90.77
PHLL-PHENYLALANINOLA1OB40.77
PHLL-PHENYLALANINOLI2ER60.77
PHLL-PHENYLALANINOLA1R9U0.77
PHLL-PHENYLALANINOLA1OB70.77
PHLL-PHENYLALANINOLA,B1OB60.77
PHLL-PHENYLALANINOLA,B,C1AMT0.77
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.74
BAMBENZAMIDINEU1F5K0.73
BAMBENZAMIDINEX2BY80.73
BAMBENZAMIDINEB2PSM0.73
BAMBENZAMIDINEX2BY90.73
BAMBENZAMIDINEA1C1N0.73
BAMBENZAMIDINEX2BY60.73
BAMBENZAMIDINEH,I1C5O0.73
BAMBENZAMIDINEA1XX40.73
BAMBENZAMIDINEA1HJ80.73
BAMBENZAMIDINEA1C5P0.73
BAMBENZAMIDINEB1C5Z0.73
BAMBENZAMIDINEA,B1ZVW0.73
BAMBENZAMIDINEA2ANW0.73
BAMBENZAMIDINEA2ANY0.73
BAMBENZAMIDINEX2BYA0.73
BAMBENZAMIDINEA1TIO0.73
BAMBENZAMIDINEX2BY50.73
BAMBENZAMIDINEX2BY70.73
0A9methyl L-phenylalaninateA1AY20.71
0A9methyl L-phenylalaninateI5ER10.71
0A9methyl L-phenylalaninateI,P1HDT0.71
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.82
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.76
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.77
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
ISOPARA-ISOPROPYLANILINEA1BMA0.76
ISOPARA-ISOPROPYLANILINEA,B1ELC0.76
ISOPARA-ISOPROPYLANILINEA,B1ELB0.76
ISOPARA-ISOPROPYLANILINEA,B1ELA0.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.76
XYD2,5-DIMETHYLANILINEA1L4L0.76
BZZBENZYLHYDRAZINEA,B2E2V0.79
BDBA,B1KE30.71
PHAPHENYLALANINALA,B1OB20.77
PHAPHENYLALANINALV,Y,Z2WDG0.77
PHAPHENYLALANINALV,Y,Z2WDK0.77
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.77
PHAPHENYLALANINALP3SGA0.77
PHAPHENYLALANINALA,B,C,D,E,F1OB50.77
PHAPHENYLALANINALV,Y,Z2WDM0.77
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.77
PHAPHENYLALANINALA,B1KDV0.77
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.77
PHAPHENYLALANINALA,B1KDY0.77
PHAPHENYLALANINALV,Y,Z3FIC0.77
PHAPHENYLALANINALV,Y,Z2WDH0.77
PHAPHENYLALANINALA,B1KE20.77
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.78
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.71
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.74
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.75
I4BISOBUTYLBENZENEA184L0.8
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.84
FPRPROPYLBENZENEC1RHK0.79