MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012758

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
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
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.74
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
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.81
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.74
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.72
BDB		A,B	1KE3	0.73
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.76
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.76
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.76
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.76
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	0.76
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.74
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.74
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.74
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.74
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.74
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.74
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.74
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.74
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.74
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.74
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.74
VK3	MENADIONE	A	1TUV	0.76
VK3	MENADIONE	A,B	2QR2	0.76
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.79
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.79
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.72
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.74
PYL	PHENYLETHANE	C	1B07	0.76
PYL	PHENYLETHANE	A,B	2VRM	0.76
PYL	PHENYLETHANE	A	1NHB	0.76
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
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.72
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.72
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.72
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.72
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.74
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.74
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.74
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.74
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
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.73
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
791	2-PHENYLMALONIC ACID	A	1O4P	0.73
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.75
I4B	ISOBUTYLBENZENE	A	184L	0.79
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.76
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.71
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.76
HBX	benzaldehyde	A,B	3GDN	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
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.75
1LP	TRANYLCYPROMINE	A,B	1OJB	1
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
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.72
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
BFL		A,B	1Q4G	0.75
DEN	INDENE	A	183L	0.71
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.92
PHA	PHENYLALANINAL	A,B	1OB2	0.77
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.77
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.77
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	0.77
PHA	PHENYLALANINAL	P	3SGA	0.77
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.77
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.77
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	0.77
PHA	PHENYLALANINAL	A,B	1KDV	0.77
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	0.77
PHA	PHENYLALANINAL	A,B	1KDY	0.77
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.77
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.77
PHA	PHENYLALANINAL	A,B	1KE2	0.77
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.94
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.94
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.94
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.94
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.94
3PL	3-PHENYLPROPANAL	E	1Y3G	0.93
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.72
AC0	1-PHENYLETHANONE	A	1ZK1	0.82
AC0	1-PHENYLETHANONE	A	1ZK4	0.82
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.79