MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02271918

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
OXE	ORTHO-XYLENE	A,B	3E0X	0.75
OXE	ORTHO-XYLENE	A	188L	0.75
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.77
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.77
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.77
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.77
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.77
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.77
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.77
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.77
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.77
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.77
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.77
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.72
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.72
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.82
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.82
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.77
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.75
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.75
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.75
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.75
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.75
3PL	3-PHENYLPROPANAL	E	1Y3G	0.76
1LP	TRANYLCYPROMINE	A,B	1OJB	0.76
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.74
I4B	ISOBUTYLBENZENE	A	184L	0.77
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.72
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.71
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.73
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.77
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.77
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.77
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.77
BDB		A,B	1KE3	0.73
PXY	PARA-XYLENE	A	187L	0.77
PXY	PARA-XYLENE	A	225L	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.73
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N, O,P	1GUL	0.72
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.7
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.71
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.71
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.77
2HT	3-methylbenzonitrile	A,B	3F88	0.72
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.71
AC0	1-PHENYLETHANONE	A	1ZK1	0.85
AC0	1-PHENYLETHANONE	A	1ZK4	0.85
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.73
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.72
VK3	MENADIONE	A	1TUV	0.79
VK3	MENADIONE	A,B	2QR2	0.79
FPR	PROPYLBENZENE	C	1RHK	0.77
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.7
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.7
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.7
HBX	benzaldehyde	A,B	3GDN	0.76
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.77
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.77
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.77
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.77
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.77
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	0.77
MBN	TOLUENE	A,B	3D7O	0.76
MBN	TOLUENE	A,B	1R1X	0.76
MBN	TOLUENE	A,B	1JLX	0.76
MBN	TOLUENE	A,B,C,D	3D17	0.76
MBN	TOLUENE	A,B	2VRL	0.76
MBN	TOLUENE	A,I	2Z3E	0.76
MBN	TOLUENE	A,B	1YZI	0.76
MBN	TOLUENE	A,B	2DN1	0.76
MBN	TOLUENE	A,B	3EN1	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.71
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.76
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.79
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.74
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.72
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.77
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.71
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.71
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.71
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.71
HCI	HYDROCINNAMIC ACID	A	1TOI	0.71
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.71
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.71
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.7
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.7
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.7
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.7
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.73
N4B	N-BUTYLBENZENE	A	186L	0.77
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.78
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.78
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.78
PYL	PHENYLETHANE	C	1B07	0.77
PYL	PHENYLETHANE	A,B	2VRM	0.77
PYL	PHENYLETHANE	A	1NHB	0.77
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.84