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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010607

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,H1MHW0.76
DENINDENEA183L0.73
HY1PHENYLACETALDEHYDED,H2I0S0.73
HY1PHENYLACETALDEHYDEA,B1D6Y0.73
HY1PHENYLACETALDEHYDEA,B1D6Z0.73
HY1PHENYLACETALDEHYDED,H2OK40.73
HY1PHENYLACETALDEHYDEA,B1D6U0.73
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.81
NPYNAPHTHALENEA,B1O7G0.73
OXEORTHO-XYLENEA,B3E0X0.74
OXEORTHO-XYLENEA188L0.74
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.82
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.7
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.76
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.76
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.76
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.76
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
1QZV0.76
PYLPHENYLETHANEC1B070.76
PYLPHENYLETHANEA,B2VRM0.76
PYLPHENYLETHANEA1NHB0.76
BDBA,B1KE30.77
MBNTOLUENEA,B3D7O0.73
MBNTOLUENEA,B1R1X0.73
MBNTOLUENEA,B1JLX0.73
MBNTOLUENEA,B,C,D3D170.73
MBNTOLUENEA,B2VRL0.73
MBNTOLUENEA,I2Z3E0.73
MBNTOLUENEA,B1YZI0.73
MBNTOLUENEA,B2DN10.73
MBNTOLUENEA,B3EN10.73
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.71
N4BN-BUTYLBENZENEA186L0.76
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.74
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.73
PXYPARA-XYLENEA187L0.74
PXYPARA-XYLENEA225L0.74
BZQDIPHENYLMETHANONEA,B1GT50.84
BZQDIPHENYLMETHANONEA,B1DZP0.84
MQ9MENAQUINONE-9C,H,L,M3D380.76
MQ9MENAQUINONE-9C,H,L,M1VRN0.76
MQ9MENAQUINONE-9C,H,L,M2I5N0.76
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.76
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.73
I4BISOBUTYLBENZENEA184L0.76
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.7
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.76
MQ7MENAQUINONE-7C,H,L,M1PRC0.76
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.76
MQ7MENAQUINONE-7C,H,L,M5PRC0.76
MQ7MENAQUINONE-7C,H,L,M7PRC0.76
MQ7MENAQUINONE-7C,H,L,M2PRC0.76
MQ7MENAQUINONE-7C,H,L,M1R2C0.76
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.76
MQ7MENAQUINONE-7C,H,L,M3PRC0.76
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.76
MQ7MENAQUINONE-7C,H,L,M2JBL0.76
MQ7MENAQUINONE-7C,H,L,M6PRC0.76
VK3MENADIONEA1TUV0.74
VK3MENADIONEA,B2QR20.74
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.71
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.71
3PL3-PHENYLPROPANALE1Y3G0.73
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.74
1LPTRANYLCYPROMINEA,B1OJB0.73
ANQACENAPHTHENEQUINONEH,J1OAX0.73
AC01-PHENYLETHANONEA1ZK10.8
AC01-PHENYLETHANONEA1ZK40.8
FPRPROPYLBENZENEC1RHK0.76
MQ8MENAQUINONE 8C,H,L,M1EYS0.76
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.7
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.77