MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03263010

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	0.81
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
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
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.79
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.72
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
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
PXY	PARA-XYLENE	A	187L	0.73
PXY	PARA-XYLENE	A	225L	0.73
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
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.73
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.74
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
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
I4B	ISOBUTYLBENZENE	A	184L	0.73
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.86
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.77
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
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.73
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.92
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.92
PYL	PHENYLETHANE	C	1B07	0.73
PYL	PHENYLETHANE	A,B	2VRM	0.73
PYL	PHENYLETHANE	A	1NHB	0.73
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.76
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.87
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
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	1
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.86
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.86
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.86
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.86
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	0.86
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
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.72
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.72
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
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.7
OXE	ORTHO-XYLENE	A,B	3E0X	0.71
OXE	ORTHO-XYLENE	A	188L	0.71
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
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	0.73
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
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
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