MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02255495

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
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.71
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
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	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
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.75
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.75
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.75
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.88
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
BDB		A,B	1KE3	0.73
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
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.76
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.76
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.76
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
PYL	PHENYLETHANE	C	1B07	0.76
PYL	PHENYLETHANE	A,B	2VRM	0.76
PYL	PHENYLETHANE	A	1NHB	0.76
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.7
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
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.72
VK3	MENADIONE	A	1TUV	0.79
VK3	MENADIONE	A,B	2QR2	0.79
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
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.71
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.78
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.81
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.81
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
PXY	PARA-XYLENE	A	187L	0.76
PXY	PARA-XYLENE	A	225L	0.76
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
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.76
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	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
I4B	ISOBUTYLBENZENE	A	184L	0.76
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
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.76
TRZ	TRAZEOLIDE	A	1C12	0.7
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.79
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.71
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	0.71
HBX	benzaldehyde	A,B	3GDN	0.73
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.78
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.78
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.78
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.78
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	0.78
BFL		A,B	1Q4G	0.73
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.74
OXE	ORTHO-XYLENE	A,B	3E0X	0.76
OXE	ORTHO-XYLENE	A	188L	0.76
FPR	PROPYLBENZENE	C	1RHK	0.76
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
1LP	TRANYLCYPROMINE	A,B	1OJB	0.84
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.76
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.72
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