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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02523726

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,I1ZSF0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.72
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
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.75
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.71
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.87
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.87
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.87
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.87
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
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.8
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.8
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.8
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.8
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.8
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.8
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.8
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.8
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.77
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.77
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.71
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.85
PEA2-PHENYLETHYLAMINEA1TNJ0.85
PEA2-PHENYLETHYLAMINED,H2HKM0.85
PEA2-PHENYLETHYLAMINEA1UTO0.85
PEA2-PHENYLETHYLAMINEA,B1D6Y0.85
PEA2-PHENYLETHYLAMINEA,B1D6Z0.85
PEA2-PHENYLETHYLAMINEA,B1D6U0.85
PEA2-PHENYLETHYLAMINEA1UTM0.85
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.84
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.84
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.84
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.84
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.75
FBA4-FLUOROBENZYLAMINEA1TNH0.75
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.73
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.73
271N-methyl-1-phenylmethanamineX2RBT0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.82
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.82
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.82
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.82
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.71
MAJindane-5-sulfonamideA2QOA0.72
BZZBENZYLHYDRAZINEA,B2E2V0.72
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.7
DPKDEPRENYLA,B2BYB0.73
PRA3-PHENYLPROPYLAMINEA1TNK0.86
PRA3-PHENYLPROPYLAMINEM1UTL0.86
PBN4-PHENYLBUTYLAMINEA1TNI0.86
PBN4-PHENYLBUTYLAMINEA1UTP0.86
PHMPHENYLALANYLMETHANEA,I1PJP0.75
PHMPHENYLALANYLMETHANEA,B,C2J9J0.75
PHMPHENYLALANYLMETHANEA,B,C2JE40.75
PXYPARA-XYLENEA187L0.71
PXYPARA-XYLENEA225L0.71
PYLPHENYLETHANEC1B070.73
PYLPHENYLETHANEA,B2VRM0.73
PYLPHENYLETHANEA1NHB0.73
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.76
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
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.77
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.77
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.77
I4BISOBUTYLBENZENEA184L0.71
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.72
TSUPARA-TOLUENE SULFONATEA,B1WUW0.7
TSUPARA-TOLUENE SULFONATEA1B0D0.7
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.87
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.87
B2FPHENYLALANINE BORONIC ACIDA,P1P060.87
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.87
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.87
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.84
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.84
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.71
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.85
HPHPHENYLALANINDIOLI1E5O0.71
HPHPHENYLALANINDIOLA,B1ODX0.71
HPHPHENYLALANINDIOLA,B1MTB0.71
HPHPHENYLALANINDIOLA,B2FGV0.71
HPHPHENYLALANINDIOLA1ODW0.71
HPHPHENYLALANINDIOLA,B2FGU0.71
HPHPHENYLALANINDIOLA,B1HXB0.71
N4BN-BUTYLBENZENEA186L0.73
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
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.83
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.83
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.7
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
ABNBENZYLAMINED,H2HXC0.78
ABNBENZYLAMINEA,I1A860.78
ABNBENZYLAMINEA1UTN0.78
ABNBENZYLAMINEA1N6X0.78
ABNBENZYLAMINEA2BZA0.78
ABNBENZYLAMINEA2EUS0.78
ABNBENZYLAMINEA1N6Y0.78
ABNBENZYLAMINEA1UTJ0.78
BNFN-BENZYLFORMAMIDEA,B1U3U0.71
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.71
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
PMSBENZYLSULFINIC ACIDB1PNM0.73
PMSBENZYLSULFINIC ACIDA,B1SH70.73
PMSBENZYLSULFINIC ACIDB,C1BB00.73
PMSBENZYLSULFINIC ACIDA,B1S2N0.73
PMSBENZYLSULFINIC ACIDA,B1WB80.73
PMSBENZYLSULFINIC ACIDA,B,C3CE40.73
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.73
PMSBENZYLSULFINIC ACIDA3H180.73
PMSBENZYLSULFINIC ACIDA3H170.73
PMSBENZYLSULFINIC ACIDA2CBG0.73
PMSBENZYLSULFINIC ACIDA1SUP0.73
PMSBENZYLSULFINIC ACIDA,B1V6C0.73
PMSBENZYLSULFINIC ACIDA,B1WPR0.73
PMSBENZYLSULFINIC ACIDA,B1EQ90.73
PMSBENZYLSULFINIC ACIDA,B1AUR0.73
PMSBENZYLSULFINIC ACIDA1KLT0.73
PMSBENZYLSULFINIC ACIDB,C1CA80.73
PMSBENZYLSULFINIC ACIDA2GKO0.73
PMSBENZYLSULFINIC ACIDB,C,D1BA80.73
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.73
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.73
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.71
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.87
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.78