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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02186714

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.79
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.71
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.73
MQ8MENAQUINONE 8C,H,L,M1EYS0.74
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.78
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.78
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.72
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.72
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.7
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.7
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.72
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.72
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.72
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.72
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.75
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.75
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.75
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.72
SS11-PHENYLETHANOLH1UM50.7
OXEORTHO-XYLENEA,B3E0X0.84
OXEORTHO-XYLENEA188L0.84
2HT3-methylbenzonitrileA,B3F880.73
PA0Phenylarsine oxideA3E3Z0.71
NPYNAPHTHALENEA,B1O7G0.75
3PL3-PHENYLPROPANALE1Y3G0.8
PYLPHENYLETHANEC1B070.87
PYLPHENYLETHANEA,B2VRM0.87
PYLPHENYLETHANEA1NHB0.87
MQ7MENAQUINONE-7C,H,L,M1PRC0.74
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.74
MQ7MENAQUINONE-7C,H,L,M5PRC0.74
MQ7MENAQUINONE-7C,H,L,M7PRC0.74
MQ7MENAQUINONE-7C,H,L,M2PRC0.74
MQ7MENAQUINONE-7C,H,L,M1R2C0.74
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.74
MQ7MENAQUINONE-7C,H,L,M3PRC0.74
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.74
MQ7MENAQUINONE-7C,H,L,M2JBL0.74
MQ7MENAQUINONE-7C,H,L,M6PRC0.74
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.79
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.79
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.79
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.72
BDBA,B1KE30.77
I4BISOBUTYLBENZENEA184L0.84
DENINDENEA183L0.78
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.7
MQ9MENAQUINONE-9C,H,L,M3D380.74
MQ9MENAQUINONE-9C,H,L,M1VRN0.74
MQ9MENAQUINONE-9C,H,L,M2I5N0.74
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.74
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.79
N4BN-BUTYLBENZENEA186L0.87
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.75
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.75
BZQDIPHENYLMETHANONEA,B1GT50.81
BZQDIPHENYLMETHANONEA,B1DZP0.81
PXYPARA-XYLENEA187L0.84
PXYPARA-XYLENEA225L0.84
HCIHYDROCINNAMIC ACIDA,B1BXG0.72
HCIHYDROCINNAMIC ACIDA,B1TOG0.72
HCIHYDROCINNAMIC ACIDA,B1V2F0.72
HCIHYDROCINNAMIC ACIDA,B1AHX0.72
HCIHYDROCINNAMIC ACIDA1TOI0.72
HCIHYDROCINNAMIC ACIDA,B1AY80.72
HCIHYDROCINNAMIC ACIDA1TOJ0.72
MBNTOLUENEA,B3D7O0.84
MBNTOLUENEA,B1R1X0.84
MBNTOLUENEA,B1JLX0.84
MBNTOLUENEA,B,C,D3D170.84
MBNTOLUENEA,B2VRL0.84
MBNTOLUENEA,I2Z3E0.84
MBNTOLUENEA,B1YZI0.84
MBNTOLUENEA,B2DN10.84
MBNTOLUENEA,B3EN10.84
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.73
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.78
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.76
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.75
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.71
AC01-PHENYLETHANONEA1ZK10.87
AC01-PHENYLETHANONEA1ZK40.87
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
PHMPHENYLALANYLMETHANEA,I1PJP0.73
PHMPHENYLALANYLMETHANEA,B,C2J9J0.73
PHMPHENYLALANYLMETHANEA,B,C2JE40.73
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.7
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.7
SS2(1R)-1-PHENYLETHANOLA1ZJY0.7
1LPTRANYLCYPROMINEA,B1OJB0.77
HBXbenzaldehydeA,B3GDN0.75
PEL2-PHENYL-ETHANOLA,B1I0D0.73
PEL2-PHENYL-ETHANOLD,H2I0T0.73
PEL2-PHENYL-ETHANOLA,B1HZY0.73
PEL2-PHENYL-ETHANOLA,B1I0B0.73
PEL2-PHENYL-ETHANOLA1EYW0.73
PEL2-PHENYL-ETHANOLA,B1JGM0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.71
B2FPHENYLALANINE BORONIC ACIDA,P1P060.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.71
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.71
PMSBENZYLSULFINIC ACIDB1PNM0.7
PMSBENZYLSULFINIC ACIDA,B1SH70.7
PMSBENZYLSULFINIC ACIDB,C1BB00.7
PMSBENZYLSULFINIC ACIDA,B1S2N0.7
PMSBENZYLSULFINIC ACIDA,B1WB80.7
PMSBENZYLSULFINIC ACIDA,B,C3CE40.7
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.7
PMSBENZYLSULFINIC ACIDA3H180.7
PMSBENZYLSULFINIC ACIDA3H170.7
PMSBENZYLSULFINIC ACIDA2CBG0.7
PMSBENZYLSULFINIC ACIDA1SUP0.7
PMSBENZYLSULFINIC ACIDA,B1V6C0.7
PMSBENZYLSULFINIC ACIDA,B1WPR0.7
PMSBENZYLSULFINIC ACIDA,B1EQ90.7
PMSBENZYLSULFINIC ACIDA,B1AUR0.7
PMSBENZYLSULFINIC ACIDA1KLT0.7
PMSBENZYLSULFINIC ACIDB,C1CA80.7
PMSBENZYLSULFINIC ACIDA2GKO0.7
PMSBENZYLSULFINIC ACIDB,C,D1BA80.7
VK3MENADIONEA1TUV0.78
VK3MENADIONEA,B2QR20.78
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.84
FPRPROPYLBENZENEC1RHK0.87
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.7
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.74
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.74
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.74
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.74
PQNPHYLLOQUINONE0,1,2,3,4,5,
6,7,8,9,A,B,
C,F,G,H,J,K,
L,P,Q,R,U,V,
W,Z
1QZV0.74
TLD4-methylbenzene-1,2-dithiolA2Z940.71
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.73
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.7
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73
CLT4-PHENYL-BUTANOIC ACIDA1THL0.71
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.71
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.71
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.76
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.84
HY1PHENYLACETALDEHYDED,H2I0S0.79
HY1PHENYLACETALDEHYDEA,B1D6Y0.79
HY1PHENYLACETALDEHYDEA,B1D6Z0.79
HY1PHENYLACETALDEHYDED,H2OK40.79
HY1PHENYLACETALDEHYDEA,B1D6U0.79
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.72