MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03905275

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
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.73
FPR	PROPYLBENZENE	C	1RHK	0.73
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.87
BFL		A,B	1Q4G	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.72
MBN	TOLUENE	A,B	3D7O	0.72
MBN	TOLUENE	A,B	1R1X	0.72
MBN	TOLUENE	A,B	1JLX	0.72
MBN	TOLUENE	A,B,C,D	3D17	0.72
MBN	TOLUENE	A,B	2VRL	0.72
MBN	TOLUENE	A,I	2Z3E	0.72
MBN	TOLUENE	A,B	1YZI	0.72
MBN	TOLUENE	A,B	2DN1	0.72
MBN	TOLUENE	A,B	3EN1	0.72
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.7
3PL	3-PHENYLPROPANAL	E	1Y3G	0.79
VK3	MENADIONE	A	1TUV	0.82
VK3	MENADIONE	A,B	2QR2	0.82
1LP	TRANYLCYPROMINE	A,B	1OJB	0.79
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.71
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.7
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.7
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
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.76
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.72
IBP	IBUPROFEN	A	3FKX	0.7
IBP	IBUPROFEN	A,B	2BXG	0.7
IBP	IBUPROFEN	A,B	1EQG	0.7
IBP	IBUPROFEN	A,B,C	2WD9	0.7
IBP	IBUPROFEN	A	2PWS	0.7
PXY	PARA-XYLENE	A	187L	0.73
PXY	PARA-XYLENE	A	225L	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.7
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.77
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.77
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.77
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.78
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.78
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.78
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.78
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.78
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.73
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.87
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.87
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.72
HCI	HYDROCINNAMIC ACID	A	1TOI	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.72
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.72
I4B	ISOBUTYLBENZENE	A	184L	0.73
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.81
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.81
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.81
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.81
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.73
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.71
PYL	PHENYLETHANE	C	1B07	0.73
PYL	PHENYLETHANE	A,B	2VRM	0.73
PYL	PHENYLETHANE	A	1NHB	0.73
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.79
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.71
AC0	1-PHENYLETHANONE	A	1ZK1	0.88
AC0	1-PHENYLETHANONE	A	1ZK4	0.88
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.71
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.73
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.73
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.73
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.81
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.81
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.81
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.81
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.81
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.81
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.81
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.81
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.81
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.81
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.81
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.71
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.77
N4B	N-BUTYLBENZENE	A	186L	0.73
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.84
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.84
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.84
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.84
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	0.84
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.71
OXE	ORTHO-XYLENE	A,B	3E0X	0.71
OXE	ORTHO-XYLENE	A	188L	0.71
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.72
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.72
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.72
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.72
HBX	benzaldehyde	A,B	3GDN	0.78
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.71
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.71
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.71
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.82
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.81
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.7
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.78
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.74
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.72
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.72