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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03215144

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.72
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.72
PYLPHENYLETHANEC1B070.8
PYLPHENYLETHANEA,B2VRM0.8
PYLPHENYLETHANEA1NHB0.8
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.81
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.73
HY1PHENYLACETALDEHYDED,H2I0S0.74
HY1PHENYLACETALDEHYDEA,B1D6Y0.74
HY1PHENYLACETALDEHYDEA,B1D6Z0.74
HY1PHENYLACETALDEHYDED,H2OK40.74
HY1PHENYLACETALDEHYDEA,B1D6U0.74
I4BISOBUTYLBENZENEA184L0.78
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.78
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.75
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.73
N4BN-BUTYLBENZENEA186L0.8
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.71
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.71
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.71
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.71
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
1QZV0.71
VK3MENADIONEA1TUV0.76
VK3MENADIONEA,B2QR20.76
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.79
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.79
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.79
OXEORTHO-XYLENEA,B3E0X0.78
OXEORTHO-XYLENEA188L0.78
BDBA,B1KE30.72
DENINDENEA183L0.72
2HT3-methylbenzonitrileA,B3F880.7
AC01-PHENYLETHANONEA1ZK10.84
AC01-PHENYLETHANONEA1ZK40.84
FPRPROPYLBENZENEC1RHK0.8
HBXbenzaldehydeA,B3GDN0.74
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.76
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.74
MQ9MENAQUINONE-9C,H,L,M3D380.71
MQ9MENAQUINONE-9C,H,L,M1VRN0.71
MQ9MENAQUINONE-9C,H,L,M2I5N0.71
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.73
1LPTRANYLCYPROMINEA,B1OJB0.72
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.7
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.78
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.73
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.71
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.72
MQ7MENAQUINONE-7C,H,L,M1PRC0.71
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.71
MQ7MENAQUINONE-7C,H,L,M5PRC0.71
MQ7MENAQUINONE-7C,H,L,M7PRC0.71
MQ7MENAQUINONE-7C,H,L,M2PRC0.71
MQ7MENAQUINONE-7C,H,L,M1R2C0.71
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.71
MQ7MENAQUINONE-7C,H,L,M3PRC0.71
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.71
MQ7MENAQUINONE-7C,H,L,M2JBL0.71
MQ7MENAQUINONE-7C,H,L,M6PRC0.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.78
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.7
PXYPARA-XYLENEA187L0.8
PXYPARA-XYLENEA225L0.8
3PL3-PHENYLPROPANALE1Y3G0.75
MBNTOLUENEA,B3D7O0.8
MBNTOLUENEA,B1R1X0.8
MBNTOLUENEA,B1JLX0.8
MBNTOLUENEA,B,C,D3D170.8
MBNTOLUENEA,B2VRL0.8
MBNTOLUENEA,I2Z3E0.8
MBNTOLUENEA,B1YZI0.8
MBNTOLUENEA,B2DN10.8
MBNTOLUENEA,B3EN10.8
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.71
BZQDIPHENYLMETHANONEA,B1GT50.78
BZQDIPHENYLMETHANONEA,B1DZP0.78
MQ8MENAQUINONE 8C,H,L,M1EYS0.71