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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02225784

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FPRPROPYLBENZENEC1RHK0.73
BZQDIPHENYLMETHANONEA,B1GT50.83
BZQDIPHENYLMETHANONEA,B1DZP0.83
MBNTOLUENEA,B3D7O0.72
MBNTOLUENEA,B1R1X0.72
MBNTOLUENEA,B1JLX0.72
MBNTOLUENEA,B,C,D3D170.72
MBNTOLUENEA,B2VRL0.72
MBNTOLUENEA,I2Z3E0.72
MBNTOLUENEA,B1YZI0.72
MBNTOLUENEA,B2DN10.72
MBNTOLUENEA,B3EN10.72
MQ8MENAQUINONE 8C,H,L,M1EYS0.75
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.7
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.7
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.7
PXYPARA-XYLENEA187L0.75
PXYPARA-XYLENEA225L0.75
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.76
VK3MENADIONEA1TUV0.76
VK3MENADIONEA,B2QR20.76
MQ9MENAQUINONE-9C,H,L,M3D380.75
MQ9MENAQUINONE-9C,H,L,M1VRN0.75
MQ9MENAQUINONE-9C,H,L,M2I5N0.75
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.75
BDBA,B1KE30.72
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.75
HY1PHENYLACETALDEHYDED,H2I0S0.72
HY1PHENYLACETALDEHYDEA,B1D6Y0.72
HY1PHENYLACETALDEHYDEA,B1D6Z0.72
HY1PHENYLACETALDEHYDED,H2OK40.72
HY1PHENYLACETALDEHYDEA,B1D6U0.72
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.83
MQ7MENAQUINONE-7C,H,L,M1PRC0.75
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.75
MQ7MENAQUINONE-7C,H,L,M5PRC0.75
MQ7MENAQUINONE-7C,H,L,M7PRC0.75
MQ7MENAQUINONE-7C,H,L,M2PRC0.75
MQ7MENAQUINONE-7C,H,L,M1R2C0.75
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.75
MQ7MENAQUINONE-7C,H,L,M3PRC0.75
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.75
MQ7MENAQUINONE-7C,H,L,M2JBL0.75
MQ7MENAQUINONE-7C,H,L,M6PRC0.75
PYLPHENYLETHANEC1B070.73
PYLPHENYLETHANEA,B2VRM0.73
PYLPHENYLETHANEA1NHB0.73
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.76
1LPTRANYLCYPROMINEA,B1OJB0.7
AC01-PHENYLETHANONEA1ZK10.81
AC01-PHENYLETHANONEA1ZK40.81
I4BISOBUTYLBENZENEA184L0.71
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.71
N4BN-BUTYLBENZENEA186L0.73
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.72
3PL3-PHENYLPROPANALE1Y3G0.73
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.75
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.78
HBXbenzaldehydeA,B3GDN0.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.72
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.71
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.71
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.71
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.75
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.75
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.75
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.75
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
1QZV0.75