MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009659

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.71
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.74
23F	(2Z)-2-AMINO-3-PHENYLACRYLIC ACID	A	1VRZ	0.71
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.78
DEN	INDENE	A	183L	0.75
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.82
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.82
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.82
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.76
FPR	PROPYLBENZENE	C	1RHK	0.84
BDB		A,B	1KE3	0.75
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.75
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.75
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.75
2HT	3-methylbenzonitrile	A,B	3F88	0.73
PA0	Phenylarsine oxide	A	3E3Z	0.71
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.74
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.74
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.74
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.74
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.74
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.74
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.74
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.74
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.74
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.74
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.74
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.82
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.76
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.7
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.7
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.7
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.7
HCI	HYDROCINNAMIC ACID	A	1TOI	0.7
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.7
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.7
NPY	NAPHTHALENE	A,B	1O7G	0.72
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.71
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.71
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.72
IBZ	2-IODOBENZYLTHIO GROUP	A,B	1CEL	0.7
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.74
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.74
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.74
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.74
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.77
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.77
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.77
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.77
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.77
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.71
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.71
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.71
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.71
PEL	2-PHENYL-ETHANOL	A	1EYW	0.71
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.71
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.75
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.75
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.81
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.81
PXY	PARA-XYLENE	A	187L	0.84
PXY	PARA-XYLENE	A	225L	0.84
MBN	TOLUENE	A,B	3D7O	0.84
MBN	TOLUENE	A,B	1R1X	0.84
MBN	TOLUENE	A,B	1JLX	0.84
MBN	TOLUENE	A,B,C,D	3D17	0.84
MBN	TOLUENE	A,B	2VRL	0.84
MBN	TOLUENE	A,I	2Z3E	0.84
MBN	TOLUENE	A,B	1YZI	0.84
MBN	TOLUENE	A,B	2DN1	0.84
MBN	TOLUENE	A,B	3EN1	0.84
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.73
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N, O,P	1GUL	0.78
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.76
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.7
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.7
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.7
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.7
N4B	N-BUTYLBENZENE	A	186L	0.84
3PL	3-PHENYLPROPANAL	E	1Y3G	0.78
AC0	1-PHENYLETHANONE	A	1ZK1	0.87
AC0	1-PHENYLETHANONE	A	1ZK4	0.87
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.73
PYL	PHENYLETHANE	C	1B07	0.84
PYL	PHENYLETHANE	A,B	2VRM	0.84
PYL	PHENYLETHANE	A	1NHB	0.84
787	(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID	A	1O4R	0.71
OXE	ORTHO-XYLENE	A,B	3E0X	0.82
OXE	ORTHO-XYLENE	A	188L	0.82
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.81
PMS	BENZYLSULFINIC ACID	B	1PNM	0.7
PMS	BENZYLSULFINIC ACID	A,B	1SH7	0.7
PMS	BENZYLSULFINIC ACID	B,C	1BB0	0.7
PMS	BENZYLSULFINIC ACID	A,B	1S2N	0.7
PMS	BENZYLSULFINIC ACID	A,B	1WB8	0.7
PMS	BENZYLSULFINIC ACID	A,B,C	3CE4	0.7
PMS	BENZYLSULFINIC ACID	A,B	1Y9Z	0.7
PMS	BENZYLSULFINIC ACID	A	3H18	0.7
PMS	BENZYLSULFINIC ACID	A	3H17	0.7
PMS	BENZYLSULFINIC ACID	A	2CBG	0.7
PMS	BENZYLSULFINIC ACID	A	1SUP	0.7
PMS	BENZYLSULFINIC ACID	A,B	1V6C	0.7
PMS	BENZYLSULFINIC ACID	A,B	1WPR	0.7
PMS	BENZYLSULFINIC ACID	A,B	1EQ9	0.7
PMS	BENZYLSULFINIC ACID	A,B	1AUR	0.7
PMS	BENZYLSULFINIC ACID	A	1KLT	0.7
PMS	BENZYLSULFINIC ACID	B,C	1CA8	0.7
PMS	BENZYLSULFINIC ACID	A	2GKO	0.7
PMS	BENZYLSULFINIC ACID	B,C,D	1BA8	0.7
VK3	MENADIONE	A	1TUV	0.78
VK3	MENADIONE	A,B	2QR2	0.78
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.7
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.74
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.74
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.74
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.74
PQN	PHYLLOQUINONE	0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z	1QZV	0.74
TLD	4-methylbenzene-1,2-dithiol	A	2Z94	0.71
HBX	benzaldehyde	A,B	3GDN	0.77
1LP	TRANYLCYPROMINE	A,B	1OJB	0.75
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.7
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.71
I4B	ISOBUTYLBENZENE	A	184L	0.82
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.76
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.84
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.72