MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03276351

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
MBN	TOLUENE	A,B	3D7O	0.7
MBN	TOLUENE	A,B	1R1X	0.7
MBN	TOLUENE	A,B	1JLX	0.7
MBN	TOLUENE	A,B,C,D	3D17	0.7
MBN	TOLUENE	A,B	2VRL	0.7
MBN	TOLUENE	A,I	2Z3E	0.7
MBN	TOLUENE	A,B	1YZI	0.7
MBN	TOLUENE	A,B	2DN1	0.7
MBN	TOLUENE	A,B	3EN1	0.7
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.74
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	0.71
FPR	PROPYLBENZENE	C	1RHK	0.73
HBX	benzaldehyde	A,B	3GDN	0.83
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.75
BFL		A,B	1Q4G	0.71
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.86
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.86
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.86
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.86
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.74
IBP	IBUPROFEN	A	3FKX	0.74
IBP	IBUPROFEN	A,B	2BXG	0.74
IBP	IBUPROFEN	A,B	1EQG	0.74
IBP	IBUPROFEN	A,B,C	2WD9	0.74
IBP	IBUPROFEN	A	2PWS	0.74
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.88
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.88
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.88
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.88
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	0.88
3PL	3-PHENYLPROPANAL	E	1Y3G	0.79
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.86
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.86
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.86
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.86
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.86
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.86
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.86
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.86
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.86
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.86
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.86
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.71
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.73
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.84
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.72
VK3	MENADIONE	A	1TUV	0.87
VK3	MENADIONE	A,B	2QR2	0.87
AC0	1-PHENYLETHANONE	A	1ZK1	0.96
AC0	1-PHENYLETHANONE	A	1ZK4	0.96
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
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.74
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.72
HCI	HYDROCINNAMIC ACID	A	1TOI	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.72
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.72
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.86
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.77
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.75
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.78
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.83
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.83
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.83
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.84
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.97
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.92
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.92
PXY	PARA-XYLENE	A	187L	0.71
PXY	PARA-XYLENE	A	225L	0.71
PYL	PHENYLETHANE	C	1B07	0.73
PYL	PHENYLETHANE	A,B	2VRM	0.73
PYL	PHENYLETHANE	A	1NHB	0.73
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.87
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
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.73
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.73
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.73
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.75
I4B	ISOBUTYLBENZENE	A	184L	0.76
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.77
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.72
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.72
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.72
N4B	N-BUTYLBENZENE	A	186L	0.73
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.81
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.81
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.81
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.81
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.81
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.78
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.71
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.71
OXE	ORTHO-XYLENE	A,B	3E0X	0.71
OXE	ORTHO-XYLENE	A	188L	0.71
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.7
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.7
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.7
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.78
BHO	BENZHYDROXAMIC ACID	A,B	1GX2	0.71
BHO	BENZHYDROXAMIC ACID	A	1HSR	0.71
BHO	BENZHYDROXAMIC ACID	A,B	2ATJ	0.71
BHO	BENZHYDROXAMIC ACID	A,B	4ATJ	0.71
BHO	BENZHYDROXAMIC ACID	A,B	3ATJ	0.71
BHO	BENZHYDROXAMIC ACID	A	3GCK	0.71
BHO	BENZHYDROXAMIC ACID	A,B,C,D,E,F, G,H	2BOY	0.71
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.74
TRZ	TRAZEOLIDE	A	1C12	0.73
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.77
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.7
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.7
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.7
1LP	TRANYLCYPROMINE	A,B	1OJB	0.84
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.71
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.71
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.71
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	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