MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02265557

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
MBN	TOLUENE	A,B	3D7O	0.7
MBN	TOLUENE	A,B	1R1X	0.7
MBN	TOLUENE	A,B	1JLX	0.7
MBN	TOLUENE	A,B,C,D	3D17	0.7
MBN	TOLUENE	A,B	2VRL	0.7
MBN	TOLUENE	A,I	2Z3E	0.7
MBN	TOLUENE	A,B	1YZI	0.7
MBN	TOLUENE	A,B	2DN1	0.7
MBN	TOLUENE	A,B	3EN1	0.7
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.74
FPR	PROPYLBENZENE	C	1RHK	0.73
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.72
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.83
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.83
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.78
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.75
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.77
BDB		A,B	1KE3	0.74
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.72
FLP	FLURBIPROFEN	A,B	1CQE	0.72
FLP	FLURBIPROFEN	A,B	1EQH	0.72
FLP	FLURBIPROFEN	A,B	2AYL	0.72
FLP	FLURBIPROFEN	A	1DVT	0.72
FLP	FLURBIPROFEN	A	1R9O	0.72
OXE	ORTHO-XYLENE	A,B	3E0X	0.73
OXE	ORTHO-XYLENE	A	188L	0.73
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.81
BBA	2,7-BIS-(4-AMIDINOBENZYLIDENE)- CYCLOHEPTAN-1-ONE	A,B	1A5H	0.7
BBA	2,7-BIS-(4-AMIDINOBENZYLIDENE)- CYCLOHEPTAN-1-ONE	T	1V2N	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.74
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
IBP	IBUPROFEN	A	3FKX	0.74
IBP	IBUPROFEN	A,B	2BXG	0.74
IBP	IBUPROFEN	A,B	1EQG	0.74
IBP	IBUPROFEN	A,B,C	2WD9	0.74
IBP	IBUPROFEN	A	2PWS	0.74
3PL	3-PHENYLPROPANAL	E	1Y3G	0.79
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.71
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.82
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.82
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.82
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.82
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	0.82
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.7
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.76
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.74
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.73
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.71
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.72
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
R13	3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID	A	2CBS	0.73
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.83
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.74
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
NPY	NAPHTHALENE	A,B	1O7G	0.7
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.7
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.74
PXY	PARA-XYLENE	A	187L	0.71
PXY	PARA-XYLENE	A	225L	0.71
PYL	PHENYLETHANE	C	1B07	0.73
PYL	PHENYLETHANE	A,B	2VRM	0.73
PYL	PHENYLETHANE	A	1NHB	0.73
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.76
AC0	1-PHENYLETHANONE	A	1ZK1	0.81
AC0	1-PHENYLETHANONE	A	1ZK4	0.81
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.73
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.73
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.73
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.73
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.8
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.7
I4B	ISOBUTYLBENZENE	A	184L	0.76
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.72
N4B	N-BUTYLBENZENE	A	186L	0.73
VK3	MENADIONE	A	1TUV	0.78
VK3	MENADIONE	A,B	2QR2	0.78
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.72
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.8
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.8
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.8
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.8
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.7
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.7
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.7
BFL		A,B	1Q4G	0.75
1LP	TRANYLCYPROMINE	A,B	1OJB	0.84
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.71
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.71
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.71
HBX	benzaldehyde	A,B	3GDN	0.7
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
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.8
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.8
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.8
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.8
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.8
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.8
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.8
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.8
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.8
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.8
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.8