MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01780978

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
OXE	ORTHO-XYLENE	A,B	3E0X	0.75
OXE	ORTHO-XYLENE	A	188L	0.75
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.73
FPR	PROPYLBENZENE	C	1RHK	0.75
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
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.72
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.74
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.73
I4B	ISOBUTYLBENZENE	A	184L	0.78
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.77
MBN	TOLUENE	A,B	3D7O	0.72
MBN	TOLUENE	A,B	1R1X	0.72
MBN	TOLUENE	A,B	1JLX	0.72
MBN	TOLUENE	A,B,C,D	3D17	0.72
MBN	TOLUENE	A,B	2VRL	0.72
MBN	TOLUENE	A,I	2Z3E	0.72
MBN	TOLUENE	A,B	1YZI	0.72
MBN	TOLUENE	A,B	2DN1	0.72
MBN	TOLUENE	A,B	3EN1	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.77
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.74
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.74
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.74
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.74
HCI	HYDROCINNAMIC ACID	A	1TOI	0.74
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.74
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.74
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.73
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.73
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.73
PXY	PARA-XYLENE	A	187L	0.75
PXY	PARA-XYLENE	A	225L	0.75
PAC	2-PHENYLACETIC ACID	B	1PNL	0.71
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.71
PAC	2-PHENYLACETIC ACID	B	1FXH	0.71
PAC	2-PHENYLACETIC ACID	A	2ISF	0.71
PAC	2-PHENYLACETIC ACID	A	2INE	0.71
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.73
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.73
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.73
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.73
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.71
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.71
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.71
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.71
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.74
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.72
IBP	IBUPROFEN	A	3FKX	0.78
IBP	IBUPROFEN	A,B	2BXG	0.78
IBP	IBUPROFEN	A,B	1EQG	0.78
IBP	IBUPROFEN	A,B,C	2WD9	0.78
IBP	IBUPROFEN	A	2PWS	0.78
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.75
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.72
BDB		A,B	1KE3	0.72
PHA	PHENYLALANINAL	A,B	1OB2	0.76
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.76
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.76
PHA	PHENYLALANINAL	1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z	1M90	0.76
PHA	PHENYLALANINAL	P	3SGA	0.76
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.76
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.76
PHA	PHENYLALANINAL	0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z	1KQS	0.76
PHA	PHENYLALANINAL	A,B	1KDV	0.76
PHA	PHENYLALANINAL	1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z	1Q86	0.76
PHA	PHENYLALANINAL	A,B	1KDY	0.76
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.76
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.76
PHA	PHENYLALANINAL	A,B	1KE2	0.76
DEN	INDENE	A	183L	0.7
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.74
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.83
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.73
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.73
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.73
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.73
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.73
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.73
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.73
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.73
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.73
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.73
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.73
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.76
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.76
HBX	benzaldehyde	A,B	3GDN	0.81
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.9
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.9
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.9
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.9
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.9
PYL	PHENYLETHANE	C	1B07	0.75
PYL	PHENYLETHANE	A,B	2VRM	0.75
PYL	PHENYLETHANE	A	1NHB	0.75
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.91
N4B	N-BUTYLBENZENE	A	186L	0.75
791	2-PHENYLMALONIC ACID	A	1O4P	0.71
AC0	1-PHENYLETHANONE	A	1ZK1	0.79
AC0	1-PHENYLETHANONE	A	1ZK4	0.79
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.71
VK3	MENADIONE	A	1TUV	0.74
VK3	MENADIONE	A,B	2QR2	0.74
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.76
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.71
BFL		A,B	1Q4G	0.74
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.73
3PL	3-PHENYLPROPANAL	E	1Y3G	0.92
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.75
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.75
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.75
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.75
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	0.75
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.72
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.72
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.72
1LP	TRANYLCYPROMINE	A,B	1OJB	0.96