MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02378599

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
3PL	3-PHENYLPROPANAL	E	1Y3G	0.81
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.72
BFL		A,B	1Q4G	0.76
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.88
791	2-PHENYLMALONIC ACID	A	1O4P	0.72
I4B	ISOBUTYLBENZENE	A	184L	0.77
IBP	IBUPROFEN	A	3FKX	0.75
IBP	IBUPROFEN	A,B	2BXG	0.75
IBP	IBUPROFEN	A,B	1EQG	0.75
IBP	IBUPROFEN	A,B,C	2WD9	0.75
IBP	IBUPROFEN	A	2PWS	0.75
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.73
HCI	HYDROCINNAMIC ACID	A	1TOI	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.73
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.73
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.71
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.87
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.87
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.87
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.87
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	0.87
FPR	PROPYLBENZENE	C	1RHK	0.74
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.85
PXY	PARA-XYLENE	A	187L	0.72
PXY	PARA-XYLENE	A	225L	0.72
OXE	ORTHO-XYLENE	A,B	3E0X	0.74
OXE	ORTHO-XYLENE	A	188L	0.74
BDB		A,B	1KE3	0.73
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.73
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.75
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.85
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.85
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.85
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.85
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.71
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.71
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.71
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.72
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.72
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.72
VK3	MENADIONE	A	1TUV	0.88
VK3	MENADIONE	A,B	2QR2	0.88
AC0	1-PHENYLETHANONE	A	1ZK1	0.89
AC0	1-PHENYLETHANONE	A	1ZK4	0.89
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.7
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.76
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.79
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.75
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
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.74
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.85
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.85
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.85
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.85
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.85
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.85
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.85
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.85
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.85
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.85
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.85
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.78
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.78
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.78
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.83
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.71
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
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.74
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.88
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.88
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.72
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.73
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.88
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.72
MBN	TOLUENE	A,B	3D7O	0.71
MBN	TOLUENE	A,B	1R1X	0.71
MBN	TOLUENE	A,B	1JLX	0.71
MBN	TOLUENE	A,B,C,D	3D17	0.71
MBN	TOLUENE	A,B	2VRL	0.71
MBN	TOLUENE	A,I	2Z3E	0.71
MBN	TOLUENE	A,B	1YZI	0.71
MBN	TOLUENE	A,B	2DN1	0.71
MBN	TOLUENE	A,B	3EN1	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
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.73
N4B	N-BUTYLBENZENE	A	186L	0.74
PYL	PHENYLETHANE	C	1B07	0.74
PYL	PHENYLETHANE	A,B	2VRM	0.74
PYL	PHENYLETHANE	A	1NHB	0.74
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
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.74
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.74
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.74
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.77
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.75
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.71
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.7
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.82
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.76
HBX	benzaldehyde	A,B	3GDN	0.78
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