MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012574

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
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
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.78
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.78
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.78
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.78
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
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.84
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.84
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.84
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.84
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.84
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
FPR	PROPYLBENZENE	C	1RHK	0.74
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.78
OXE	ORTHO-XYLENE	A,B	3E0X	0.74
OXE	ORTHO-XYLENE	A	188L	0.74
BDB		A,B	1KE3	0.73
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.7
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.78
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.78
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.78
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.78
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.78
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.78
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.78
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.78
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.78
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.78
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.78
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.73
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.71
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.71
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.72
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
VK3	MENADIONE	A	1TUV	0.79
VK3	MENADIONE	A,B	2QR2	0.79
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.8
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.8
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.8
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.8
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	0.8
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
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.78
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.74
791	2-PHENYLMALONIC ACID	A	1O4P	0.73
3PL	3-PHENYLPROPANAL	E	1Y3G	0.83
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.82
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.76
AC0	1-PHENYLETHANONE	A	1ZK1	0.84
AC0	1-PHENYLETHANONE	A	1ZK4	0.84
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.86
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
PXY	PARA-XYLENE	A	187L	0.71
PXY	PARA-XYLENE	A	225L	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.76
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
N4B	N-BUTYLBENZENE	A	186L	0.74
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
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.71
FLP	FLURBIPROFEN	A,B	1CQE	0.71
FLP	FLURBIPROFEN	A,B	1EQH	0.71
FLP	FLURBIPROFEN	A,B	2AYL	0.71
FLP	FLURBIPROFEN	A	1DVT	0.71
FLP	FLURBIPROFEN	A	1R9O	0.71
HBX	benzaldehyde	A,B	3GDN	0.75
I4B	ISOBUTYLBENZENE	A	184L	0.76
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.7
PYL	PHENYLETHANE	C	1B07	0.74
PYL	PHENYLETHANE	A,B	2VRM	0.74
PYL	PHENYLETHANE	A	1NHB	0.74
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.79
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.74
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.74
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.74
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.71
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.75
PAC	2-PHENYLACETIC ACID	B	1PNL	0.74
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.74
PAC	2-PHENYLACETIC ACID	B	1FXH	0.74
PAC	2-PHENYLACETIC ACID	A	2ISF	0.74
PAC	2-PHENYLACETIC ACID	A	2INE	0.74
BFL		A,B	1Q4G	0.73
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.74
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.73
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.7
DEN	INDENE	A	183L	0.71
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.76
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.76
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.72