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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03524361

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.71
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.74
MQ8MENAQUINONE 8C,H,L,M1EYS0.74
DENINDENEA183L0.73
BZQDIPHENYLMETHANONEA,B1GT50.82
BZQDIPHENYLMETHANONEA,B1DZP0.82
HY1PHENYLACETALDEHYDED,H2I0S0.75
HY1PHENYLACETALDEHYDEA,B1D6Y0.75
HY1PHENYLACETALDEHYDEA,B1D6Z0.75
HY1PHENYLACETALDEHYDED,H2OK40.75
HY1PHENYLACETALDEHYDEA,B1D6U0.75
N4BN-BUTYLBENZENEA186L0.82
3PL3-PHENYLPROPANALE1Y3G0.76
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.79
PYLPHENYLETHANEC1B070.82
PYLPHENYLETHANEA,B2VRM0.82
PYLPHENYLETHANEA1NHB0.82
BDBA,B1KE30.75
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.77
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.8
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.8
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.8
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.73
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
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.74
AC01-PHENYLETHANONEA1ZK10.85
AC01-PHENYLETHANONEA1ZK40.85
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
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.73
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.73
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.7
NPYNAPHTHALENEA,B1O7G0.7
ANQACENAPHTHENEQUINONEH,J1OAX0.7
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.74
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.75
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.79
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.73
MBNTOLUENEA,B3D7O0.81
MBNTOLUENEA,B1R1X0.81
MBNTOLUENEA,B1JLX0.81
MBNTOLUENEA,B,C,D3D170.81
MBNTOLUENEA,B2VRL0.81
MBNTOLUENEA,I2Z3E0.81
MBNTOLUENEA,B1YZI0.81
MBNTOLUENEA,B2DN10.81
MBNTOLUENEA,B3EN10.81
HBXbenzaldehydeA,B3GDN0.75
FPRPROPYLBENZENEC1RHK0.82
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.74
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.71
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
2631-(azidomethyl)-3-methylbenzeneX2RB20.71
1LPTRANYLCYPROMINEA,B1OJB0.75
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
I4BISOBUTYLBENZENEA184L0.82
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.74
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.71
2HT3-methylbenzonitrileA,B3F880.76
OXEORTHO-XYLENEA,B3E0X0.79
OXEORTHO-XYLENEA188L0.79
PXYPARA-XYLENEA187L0.82
PXYPARA-XYLENEA225L0.82
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.84
VK3MENADIONEA1TUV0.77
VK3MENADIONEA,B2QR20.77
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.76