MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02317482

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
1LP	TRANYLCYPROMINE	A,B	1OJB	0.87
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.75
HCI	HYDROCINNAMIC ACID	A	1TOI	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.75
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.78
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.74
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.74
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.74
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
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.74
VK3	MENADIONE	A	1TUV	0.83
VK3	MENADIONE	A,B	2QR2	0.83
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.78
BDB		A,B	1KE3	0.75
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.7
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.7
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.73
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.7
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.76
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.76
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.76
PYL	PHENYLETHANE	C	1B07	0.76
PYL	PHENYLETHANE	A,B	2VRM	0.76
PYL	PHENYLETHANE	A	1NHB	0.76
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.78
MBN	TOLUENE	A,B	3D7O	0.73
MBN	TOLUENE	A,B	1R1X	0.73
MBN	TOLUENE	A,B	1JLX	0.73
MBN	TOLUENE	A,B,C,D	3D17	0.73
MBN	TOLUENE	A,B	2VRL	0.73
MBN	TOLUENE	A,I	2Z3E	0.73
MBN	TOLUENE	A,B	1YZI	0.73
MBN	TOLUENE	A,B	2DN1	0.73
MBN	TOLUENE	A,B	3EN1	0.73
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.72
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.77
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.77
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.77
N4B	N-BUTYLBENZENE	A	186L	0.76
IBP	IBUPROFEN	A	3FKX	0.77
IBP	IBUPROFEN	A,B	2BXG	0.77
IBP	IBUPROFEN	A,B	1EQG	0.77
IBP	IBUPROFEN	A,B,C	2WD9	0.77
IBP	IBUPROFEN	A	2PWS	0.77
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.74
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.73
FLP	FLURBIPROFEN	A,B	1CQE	0.73
FLP	FLURBIPROFEN	A,B	1EQH	0.73
FLP	FLURBIPROFEN	A,B	2AYL	0.73
FLP	FLURBIPROFEN	A	1DVT	0.73
FLP	FLURBIPROFEN	A	1R9O	0.73
PXY	PARA-XYLENE	A	187L	0.74
PXY	PARA-XYLENE	A	225L	0.74
3PL	3-PHENYLPROPANAL	E	1Y3G	0.83
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.82
AC0	1-PHENYLETHANONE	A	1ZK1	0.84
AC0	1-PHENYLETHANONE	A	1ZK4	0.84
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.74
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.86
I4B	ISOBUTYLBENZENE	A	184L	0.79
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.82
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.76
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.84
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.84
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.76
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.73
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.73
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.73
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.7
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.74
791	2-PHENYLMALONIC ACID	A	1O4P	0.71
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.7
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.82
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.82
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.82
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.82
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.82
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.74
HBX	benzaldehyde	A,B	3GDN	0.73
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.75
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.82
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.82
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.82
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.82
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.82
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.82
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.82
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.82
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.82
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.82
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.82
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.74
OXE	ORTHO-XYLENE	A,B	3E0X	0.76
OXE	ORTHO-XYLENE	A	188L	0.76
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.73
FPR	PROPYLBENZENE	C	1RHK	0.76
BFL		A,B	1Q4G	0.75
DEN	INDENE	A	183L	0.71
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.82
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.82
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.82
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.82
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.85
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.85
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.85
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.85
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	0.85
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.76
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.83
NPY	NAPHTHALENE	A,B	1O7G	0.71
PAC	2-PHENYLACETIC ACID	B	1PNL	0.72
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.72
PAC	2-PHENYLACETIC ACID	B	1FXH	0.72
PAC	2-PHENYLACETIC ACID	A	2ISF	0.72
PAC	2-PHENYLACETIC ACID	A	2INE	0.72